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EC number: 248-983-7 | CAS number: 28348-53-0
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Endpoint summary
Administrative data
Key value for chemical safety assessment
Effects on fertility
Description of key information
In a reproductive and developmental toxicity screening test in rats [OECD TG 421], test substance was administered orally by gavage at doses of 0, 100, 300 and 1000 mg/kg bw/day. Then both the reproductive performance of parental animals and the development and growth of F1 offspring were examined. There was no significant effect of test substance on the numbers of total offspring and live offspring, sex ratio, live birth index, viability index or body weight, and no compound-related abnormality was found in external features, clinical signs or autopsy findings of offspring up to 1000 mg/kg bw/day, the highest dose tested, while some toxic effects on parental animals (diarrhea, soft feces, etc.) were observed at 1000 mg/kg bw/day. Thus the NOAEL for reproductive and developmental toxicity was considered to be 1000 mg/kg bw/day in rats.
The 91-day oral rat feeding study with sodium cumene sulfonate, included examination of sex organs such as the prostate, testes and ovaries. There is no evidence from this repeat dose study to suggest that the chemical would have an adverse effect on reproductive organs.
Non-ER binder due to non-cyclic molecular structure.Sodium cumenesulphonate have a molecular weight of less than 500, but do not possess a cyclic structure is reported to non-binders to the receptor and therefore sodium cumenesulphonate does not cause reproductive toxicity.
Link to relevant study records
- Endpoint:
- screening for reproductive / developmental toxicity
- Type of information:
- other: published data
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 421 (Reproduction / Developmental Toxicity Screening Test)
- GLP compliance:
- yes
- Limit test:
- no
- Species:
- rat
- Strain:
- Crj: CD(SD)
- Details on species / strain selection:
- Ten-week-old male and female rats were used. Twelve male and twelve female animals were used for each dose of 0, 100, 300 and 1000 mg/kg bw/day.
- Sex:
- male/female
- Route of administration:
- oral: gavage
- Vehicle:
- water
- Details on exposure:
- Test substance was administered orally by gavage. Male animals were dosed from 14 days before mating to the day before scheduled sacrifice through the mating period and thereafter (total 46 days). Female animals were dosed from 14 days before mating to 3 days after delivery through the mating and gestation periods.
- Details on mating procedure:
- For mating, one male to one female mating was used. A female rat was placed together with a male rat until copulation was confirmed. Day 0 of gestation (GD 0) was defined as the day when a vaginal plug or sperm was found. Pregnant female animals were delivered and maintained until 4 days after parturition (PND 4).
- Analytical verification of doses or concentrations:
- yes
- Duration of treatment / exposure:
- Exposure period: Males: 14 days before mating until sacrifice (pre-mating, mating and post-mating periods: 46 days total)
Females: 14 days before mating until the third day after delivery (pre-mating, mating, gestation and lactation periods)
Premating exposure period (males): 14 days
Premating exposure period (females): 14 days
Duration of test: Male: 47 days; Female: 40-44 days - Frequency of treatment:
- daily
- Details on study schedule:
- Once daily by oral gavage for 46 days from day 14 before the start of mating for males and once daily for 14 days before the start of mating, during the mating period up to the day of successful copulation, and during the gestation period up to day 3 of lactation for the females that had successful copulation.
- Remarks:
- Doses / Concentrations:
0, 100, 300, 1000 mg/kg bw/day
Basis: nominal conc. - No. of animals per sex per dose:
- 12/sex/dose
- Control animals:
- yes, concurrent vehicle
- Details on study design:
- Dose selection rationale: no-effect dose level in a previous 28-day repeated oral dose toxicity study was 1000 mg/kg, the high dose level was set at 1000 mg/kg and the middle dose level and the low dose level at 300 and 100 mg/kg, respectively, using a common ratio of approximately 3.
Sex: male/female Duration of test: Male: 47 days; Female: 40-44 days - Parental animals: Observations and examinations:
- CAGE SIDE OBSERVATIONS: Yes - Time schedule: least twice daily from day 1 of administration, counting the day administration started as day 1 of administration, to the day of necropsy, the day following day 46 of administration. On the day of necropsy, they were observed once in the morning. - Cage side observations checked in table [No.?] were included. BODY WEIGHT: Yes - Time schedule for examinations:on days 1, 2, 5, 7, 10 and 14 of administration and every 7 days thereafter before dosing of the day, on the last day of administration and the day of necropsy.
- Oestrous cyclicity (parental animals):
- Vaginal smear specimens were prepared by Giemsa staining every day from 10 days before the start of administration to the day of successful copulation and observed under a light microscope for the stage of estrous cycle (proestrus, estrus, metestrus, and diestrus).
- Litter observations:
- All live pups were weighed on days 0, 1 and 4 of lactation. All live pups were checked for survival and death and observed for general condition and external appearance once a day from day 0 of lactation to day 4 of lactation.
- Postmortem examinations (parental animals):
- SACRIFICE - Male animals: All surviving animals were subject to necropsy on the day following day 46 of dosing. - Maternal animals: All surviving animals were subject to necropsy on the day following day 46 of dosing. GROSS NECROPSY - Gross necropsy consisted of external and internal examinations including the brain (cerebrum, cerebellum), pituitary, thymus, thyroid glands (including parathyroid glands), adrenals, spleen, heart, thoracic aorta, tongue, esophagus, stomach (forestomach and glandular stomach), liver, pancreas, duodenum, jejunum, ileum (including Peyer’s patches), cecum, colon, rectum, larynx, trachea, lungs (including bronchi), kidneys, urinary bladder, testes, epididymides, prostate, seminal vesicles with coagulating glands, eyeballs and Harderian glands, skin (right abdominal region, in principle), sternal and femoral bones (including bone marrow, right), spinal cord (cervical region), mesenteric lymph node, submandibular lymph node, submandibular gland, sublingual gland, parotid gland, skeletal muscles (gastrocnemius muscle, right), and sciatic nerve (right), ovaries, uterus (uterine horn and uterine cervix), vagina, mammary glands and skin (right abdominal region, in principle). HISTOPATHOLOGY / ORGAN WEIGHTSFor all males, the testes and epididymides. For all animals the following were examined microscopically: males - forestomach, stomach (limiting ridge), glandular stomach, liver and heart. Females - ovaries, lungs and trachea
- Postmortem examinations (offspring):
- The pups that died were subjected to necropsy immediately after it was found dead and its whole body fixed and preserved.The pups that survived were euthanized after external observation (including the inside of the oral cavity) on day 4 of lactation, and organs/tissue in the whole body observed macroscopically. For the pups that had abnormalities, the whole body was fixed and preserved.
- Reproductive indices:
- Copulation index (%) Fertility index (%)
- Offspring viability indices:
- Gestation index (%) Live birth index (%) Sex ratioDelivery index (%)Implantation index (%)
- Clinical signs:
- no effects observed
- Dermal irritation (if dermal study):
- not specified
- Mortality:
- not specified
- Body weight and weight changes:
- no effects observed
- Food consumption and compound intake (if feeding study):
- not examined
- Food efficiency:
- not specified
- Water consumption and compound intake (if drinking water study):
- not specified
- Ophthalmological findings:
- no effects observed
- Haematological findings:
- not examined
- Clinical biochemistry findings:
- not examined
- Urinalysis findings:
- not examined
- Behaviour (functional findings):
- not examined
- Immunological findings:
- not examined
- Organ weight findings including organ / body weight ratios:
- no effects observed
- Histopathological findings: non-neoplastic:
- no effects observed
- Histopathological findings: neoplastic:
- no effects observed
- Other effects:
- not specified
- Reproductive function: oestrous cycle:
- no effects observed
- Reproductive function: sperm measures:
- not examined
- Reproductive performance:
- no effects observed
- Dose descriptor:
- NOAEL
- Remarks:
- parental toxicity
- Effect level:
- 300 mg/kg bw/day (nominal)
- Based on:
- test mat.
- Sex:
- male/female
- Basis for effect level:
- clinical signs
- gross pathology
- Clinical signs:
- not examined
- Dermal irritation (if dermal study):
- not examined
- Mortality:
- not examined
- Body weight and weight changes:
- not examined
- Food consumption and compound intake (if feeding study):
- not examined
- Food efficiency:
- not examined
- Water consumption and compound intake (if drinking water study):
- not examined
- Ophthalmological findings:
- not examined
- Haematological findings:
- not examined
- Clinical biochemistry findings:
- not examined
- Urinalysis findings:
- not examined
- Behaviour (functional findings):
- not examined
- Immunological findings:
- not examined
- Organ weight findings including organ / body weight ratios:
- not examined
- Gross pathological findings:
- not examined
- Neuropathological findings:
- not examined
- Histopathological findings: non-neoplastic:
- not examined
- Histopathological findings: neoplastic:
- not examined
- Other effects:
- not examined
- Reproductive function: oestrous cycle:
- not examined
- Reproductive function: sperm measures:
- no effects observed
- Reproductive performance:
- not examined
- Clinical signs:
- no effects observed
- Dermal irritation (if dermal study):
- not examined
- Mortality / viability:
- no mortality observed
- Body weight and weight changes:
- no effects observed
- Food consumption and compound intake (if feeding study):
- not examined
- Food efficiency:
- not specified
- Water consumption and compound intake (if drinking water study):
- not examined
- Ophthalmological findings:
- not examined
- Haematological findings:
- not examined
- Clinical biochemistry findings:
- not examined
- Urinalysis findings:
- not examined
- Sexual maturation:
- not examined
- Organ weight findings including organ / body weight ratios:
- no effects observed
- Gross pathological findings:
- no effects observed
- Histopathological findings:
- not examined
- Other effects:
- not examined
- Behaviour (functional findings):
- not examined
- Developmental immunotoxicity:
- not examined
- Key result
- Dose descriptor:
- NOAEL
- Remarks:
- reproductive and developmental toxicity.
- Generation:
- F1
- Effect level:
- 1 000 mg/kg bw/day (nominal)
- Based on:
- test mat.
- Sex:
- male/female
- Basis for effect level:
- viability
- sexual maturation
- clinical signs
- body weight and weight gain
- Clinical signs:
- not examined
- Dermal irritation (if dermal study):
- not examined
- Mortality / viability:
- not examined
- Body weight and weight changes:
- not examined
- Food consumption and compound intake (if feeding study):
- not examined
- Food efficiency:
- not examined
- Water consumption and compound intake (if drinking water study):
- not examined
- Ophthalmological findings:
- not examined
- Haematological findings:
- not examined
- Clinical biochemistry findings:
- not examined
- Urinalysis findings:
- not examined
- Sexual maturation:
- not examined
- Organ weight findings including organ / body weight ratios:
- not examined
- Gross pathological findings:
- not examined
- Histopathological findings:
- not examined
- Other effects:
- not examined
- Behaviour (functional findings):
- not examined
- Developmental immunotoxicity:
- not examined
- Reproductive effects observed:
- not specified
- Conclusions:
- Parental toxicity was observed at the top dose of 1000 mg/kg bw/day. There were no adverse effects reported for reproductive or developmental parameters. A NOAEL of 300 mg/kg bw/day for parental toxicity and 1000 mg/kg bw/day for reproductive and developmental toxicity.
- Executive summary:
In a reproductive and developmental toxicity screening test in rats [OECD TG 421], test substance was administered orally by gavage at doses of 0, 100, 300 and 1000 mg/kg bw/day. Then both the reproductive performance of parental animals and the development and growth of F1 offspring were examined. There was no significant effect of test substance on the numbers of total offspring and live offspring, sex ratio, live birth index, viability index or body weight, and no compound-related abnormality was found in external features, clinical signs or autopsy findings of offspring up to 1000 mg/kg bw/day, the highest dose tested, while some toxic effects on parental animals (diarrhea, soft feces, etc.) were observed at 1000 mg/kg bw/day. Thus the NOAEL for reproductive and developmental toxicity was considered to be 1000 mg/kg bw/day in rats.
- Endpoint:
- two-generation reproductive toxicity
- Remarks:
- QSAR model,Estrogen Receptor Binding method, relevant for reproductive toxicity endpoints in fish and mammals.
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- QSAR prediction: Accepted Estrogen Receptor Binding QSAR method for chemicals properties assessment.. This method is relevant for reproductive toxicity endpoints in fish and mammals.
- Qualifier:
- according to guideline
- Guideline:
- other: QSAR Toolbox Version 3.3.5.17
- Principles of method if other than guideline:
- This grouping method contains simple categories for estrogen receptor (ER) binding. This method is relevant for reproductive toxicity endpoints in fish and mammals.
- GLP compliance:
- no
- Remarks:
- not applicable. QSAR model,Estrogen Receptor Binding method, relevant for reproductive toxicity endpoints in fish and mammals.
- Limit test:
- no
- Species:
- other: fish (trout) and mammals.
- Strain:
- other: QSAR model
- Sex:
- not specified
- Route of administration:
- other: QSAR model
- Vehicle:
- other: QSAR model
- Details on exposure:
- Estrogen receptor (ER) binding is a molecular initiating event much like protein binding that leads to a series of adverse outcomes, which are typically considered reproductive and development hazards. It is an endpoint where several comprehensive databases exist, which has lead to the development of several approaches for using (Q)SARs to predict ER-binding and possible endocrine disruption .
- Analytical verification of doses or concentrations:
- not specified
- Duration of treatment / exposure:
- Estrogen receptor (ER) binding is a molecular initiating event much like protein binding that leads to a series of adverse outcomes, which are typically considered reproductive and development hazards. It is an endpoint where several comprehensive databases exist, which has lead to the development of several approaches for using (Q)SARs to predict ER-binding and possible endocrine disruption .
- Remarks:
- Doses / Concentrations:
Basis:
other: QSAR model - Control animals:
- not specified
- Parental animals: Observations and examinations:
- Estrogen receptor (ER) binding is a molecular initiating event much like protein binding that leads to a series of adverse outcomes, which are typically considered reproductive and development hazards. It is an endpoint where several comprehensive databases exist, which has lead to the development of several approaches for using (Q)SARs to predict ER-binding and possible endocrine disruption .
- Clinical signs:
- no effects observed
- Description (incidence and severity):
- QSAR model
- Body weight and weight changes:
- no effects observed
- Description (incidence and severity):
- QSAR model
- Food consumption and compound intake (if feeding study):
- no effects observed
- Description (incidence and severity):
- QSAR model
- Organ weight findings including organ / body weight ratios:
- no effects observed
- Histopathological findings: non-neoplastic:
- no effects observed
- Description (incidence and severity):
- QSAR model
- Other effects:
- no effects observed
- Description (incidence and severity):
- Test substance intake: QSAR model
- Reproductive function: oestrous cycle:
- no effects observed
- Description (incidence and severity):
- QSAR model
- Reproductive function: sperm measures:
- no effects observed
- Description (incidence and severity):
- QSAR model
- Reproductive performance:
- no effects observed
- Description (incidence and severity):
- QSAR model
- Dose descriptor:
- other: Relative ERBA (Estrogen Receptor Binding Affinity)
- Effect level:
- < -3 other: Log RBA(Relative Binding Affinities )
- Based on:
- other: Estrogen receptor (ER) binding
- Sex:
- not specified
- Basis for effect level:
- other: see 'Remark'
- Remarks on result:
- other: Generation: QSAR model
- Clinical signs:
- no effects observed
- Description (incidence and severity):
- QSAR model
- Mortality / viability:
- no mortality observed
- Description (incidence and severity):
- QSAR model
- Body weight and weight changes:
- no effects observed
- Description (incidence and severity):
- QSAR model
- Sexual maturation:
- no effects observed
- Description (incidence and severity):
- QSAR model
- Organ weight findings including organ / body weight ratios:
- no effects observed
- Description (incidence and severity):
- QSAR model
- Gross pathological findings:
- no effects observed
- Description (incidence and severity):
- QSAR model
- Histopathological findings:
- no effects observed
- Description (incidence and severity):
- QSAR model
- Dose descriptor:
- other: Relative ERBA (Estrogen Receptor Binding Affinity)
- Generation:
- F1
- Effect level:
- < -3 other: Log RBA(Relative Binding Affinities
- Based on:
- other: Estrogen receptor (ER) binding
- Sex:
- not specified
- Basis for effect level:
- other: Non-ER binder due to non-cyclic molecular structure.
- Remarks on result:
- other: Generation: QSAR model
- Reproductive effects observed:
- not specified
- Conclusions:
- Non-ER binder due to non-cyclic molecular structure.Sodium cumenesulphonate have a molecular weight of less than 500, but do not possess a cyclic structure is reported to non-binders to the receptor and therefore sodium cumenesulphonate does not cause reproductive toxicity.
- Executive summary:
Sodium cumenesulphonate have a molecular weight of less than 500, but do not possess a cyclic structure is reported to non-binders to the receptor and therefore sodium cumenesulphonate does not cause reproductive toxicity.
1.1. CAS number:
28348-53-0
1.2. Other regulatory numbers:
Not reported
1.3. Chemical name(s):
benzenesulfonic acid, (1-methylethyl)-, sodium salt
sodium cumenesulphonate
sodium 2-(propan-2-yl)benzenesulfonate
1.4. Structure codes:
a. SMILES:
CC(C)c1ccccc1S(=O)(=O)O{-}.[Na]{+}
1.6. Profiling results:
DNA binding by OECD
No alert found
Est rogen Receptor Binding
Non binder, without OH or NH2 group
OECD HPV Chemical Categories
Hydrotrope surfactants
Linear alkylbenzene sulfonates
Protein binding by OECD
No alert found
Protein binding potency
Not possible to classify according to these rules (GSH)
Superfragments
No superfragment
Toxic hazard classification by Cramer (original)
High (Class III)
US-EPA New Chemical Categories
Not categorized
- Endpoint:
- screening for reproductive / developmental toxicity
- Data waiving:
- study scientifically not necessary / other information available
- Justification for data waiving:
- other:
Referenceopen allclose all
Observations: offspring
Remarks on results including tables and figures
With regard to systemic general toxicity, diarrhea or soft feces was observed in all animals at 1000 mg/kg bw/day with frequency of 2 to 19 times. Diarrhea or soft feces was also observed in two females at 100 mg/kg bw/day and in one male at 300 mg/kg bw/day. Diarrhea and soft feces observed at 1000 mg/kg bw/day were considered to be dose related because they were observed at high frequency (up to 19 times). The treatment did not affect body weight gain or food intake in either sex. Macroscopic findings for males in the 1000 mmg/kg bw/day group included thickening of the stomach limiting ridge (seven out of 12 males). There were no treatment-related changes in absolute and relative organ weights in either sex. Histopathological examination revealed inflammatory cellular infiltration of lamina propria and squamous cell hyperplasia in the stomach limiting ridge in the male group at 1000 mg/kg bwmg/kg bw/day. These changes were significantly different from the controls.
Thickening of the stomach limiting ridge and histopathological changes in the stomach limiting ridge were not observed in females; however, these effects were considered to be toxicologically significant. These changes in the stomach limiting ridge were considered due to stimulation by alkaline property of sodium toluenesulfonate (pH 9.93).
Table1. Histopathological findings of male rats ================================================================================ Dose(mg/kg) 0 100 300 1000 -------------------------------------------------------------------------------- No. of animals examined 12 12 12 12 GradeStomach, limiting ridge Cellular infiltration, inflammatory cell, + 0 0 0 7** lamina propria Squamous cell hyperplasia + 0 0 0 9** Cyst, squamous cell + 0 0 0 1 ================================================================================ Values are number of animals with findings.Grade; +: slight change. **: Significantly different from the 0 mg/kg group at p<0.01
There were no treatment-related histopathological findings for the testis, epididymis or ovary. Male and female reproduction were not affected by test-substance administration. The substance showed no effect on the following parental reproductive parameters: estrous cycle length, mating index, fertility index, numbers of corpora lutea and implantations, implantation index, delivery index, gestation index, gestation length, and parturition and maternal behaviour. Based on these results, NOAELs for general toxicity and reproductive toxicity in rats were considered to be 300 mg/kg bw/day and 1000 mg/kg bw/day, respectively.
|
1.1. CAS number:
28348-53-0
1.2. Other regulatory numbers:
Not reported
1.3. Chemical name(s):
benzenesulfonic acid, (1-methylethyl)-, sodium salt
sodium cumenesulphonate
sodium 2-(propan-2-yl)benzenesulfonate
1.4. Structure codes:
a. SMILES:
CC(C)c1ccccc1S(=O)(=O)O{-}.[Na]{+}
1.6. Profiling results:
DNA binding by OECD
No alert found
Est rogen Receptor Binding
Non binder, without OH or NH2 group
OECD HPV Chemical Categories
Hydrotrope surfactants
Linear alkylbenzene sulfonates
Protein binding by OECD
No alert found
Protein binding potency
Not possible to classify according to these rules (GSH)
Superfragments
No superfragment
Toxic hazard classification by Cramer (original)
High (Class III)
US-EPA New Chemical Categories
Not categorized
1.1. CAS number:
28348-53-0
1.2. Other regulatory numbers:
Not reported
1.3. Chemical name(s):
benzenesulfonic acid, (1-methylethyl)-, sodium salt
sodium cumenesulphonate
sodium 2-(propan-2-yl)benzenesulfonate
1.4. Structure codes:
a. SMILES:
CC(C)c1ccccc1S(=O)(=O)O{-}.[Na]{+}
1.6. Profiling results:
DNA binding by OECD
No alert found
Est rogen Receptor Binding
Non binder, without OH or NH2 group
OECD HPV Chemical Categories
Hydrotrope surfactants
Linear alkylbenzene sulfonates
Protein binding by OECD
No alert found
Protein binding potency
Not possible to classify according to these rules (GSH)
Superfragments
No superfragment
Toxic hazard classification by Cramer (original)
High (Class III)
US-EPA New Chemical Categories
Not categorized
This grouping method contains simple categories for estrogen receptor (ER) binding. This method is relevant for reproductive toxicity endpoints in fish and mammals.
Non-binder, impaired OH or NH2 group
Non-binder without OH or NH2 group
Non-binder, non-cyclic structure
Non-binder, MW > 500
Non-binder, non-cyclic structure– chemicals without cycles and MW =<500
Non-ER binder due to non-cyclic molecular structure.
Estrogen receptor (ER) binding is a molecular initiating event much like protein binding that leads to a series of adverse outcomes, which are typically considered reproductive and development hazards. It is an endpoint where several comprehensive databases exist, which has lead to the development of several approaches for using (Q)SARs to predict ER-binding and possible endocrine disruption .
Popular among these are the “four phase” assessment that includes Comparative Molecular Field Analysis (CoMFA) and the Common Reactivity Pattern Approach (COREPA)
Since the RE-binding is a receptor mediated event, particular organic functional groups, size and shape are critical to binding potency.
Sodium cumenesulphonate have a molecular weight of less than 500, but do not possess a cyclic structure is reported to non-binders to the receptor and therefore sodium cumenesulphonate does not cause reproductive toxicity.
Effect on fertility: via oral route
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- NOAEL
- 1 000 mg/kg bw/day
- Study duration:
- subchronic
- Species:
- rat
- Quality of whole database:
- The available reproductive study was fully documented and conducted in accordance with GLP. In this study the NOAEL for reproductive toxicity was considered to be 1000 mg/kg bw/day in rats.
Effect on fertility: via inhalation route
- Endpoint conclusion:
- no study available
Effect on fertility: via dermal route
- Endpoint conclusion:
- no study available
Effects on developmental toxicity
Description of key information
With regard to systemic general toxicity, diarrhea or soft feces was observed in male and female groups at 1000 mg/kg bw/day.
Histopathological examination revealed inflammatory cellular infiltration of lamina propria and squamous cell hyperplasia in the stomach limiting ridge in the male group at 1000 mg/kg bw/day.
These changes were significantly different from the controls. Male and female reproduction were not affected by test-substance administration. Test substance showed no effect on the following parental reproductive parameters:
estrous cycle length, mating index, fertility index, numbers of corpora lutea and implantations, implantation index, delivery index, gestation index, gestation length, and parturition and maternal behavior. In examination of neonates, there was no effect of sodium p-toluenesulfonate on the numbers of total offspring and live offspring, sex ratio, live birth index, viability index or body weight.
No compound-related abnormality was found in external features, clinical signs or autopsy findings of offspring.
Based on these results, the NOAEL for developmental toxicity was considered to be 1000 mg/kg bw/day in rats.
Link to relevant study records
- Endpoint:
- developmental toxicity
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- QSAR prediction:Accepted DART QSAR method for chemicals properties assessment.. This method is relevant for Developmental and Reproductive toxicity endpoints in mammals.
- Qualifier:
- according to guideline
- Guideline:
- other: QSAR Toolbox Version 3.3.5.17
- Principles of method if other than guideline:
- This grouping method contains simple categories for Developmental and Reproductive toxicity. This method is relevant for Developmental and Reproductive toxicity endpoints in mammals.
- GLP compliance:
- no
- Remarks:
- not applicable DART QSAR method for chemicals properties assessment..
- Limit test:
- no
- Species:
- rat
- Strain:
- other: QSAR model
- Route of administration:
- other: QSAR model
- Vehicle:
- other: QSAR model
- Details on exposure:
- This grouping method contains simple categories for Developmental and Reproductive toxicity. This method is relevant for Developmental and Reproductive toxicity endpoints in mammals. The database include a set of 929 chemicals that have been evaluated for their DART potential. These chemicals were grouped into 54 different categories, and 76 sub-categories, based on defined receptor binding and chemical properties, and when known, their MOA. Data is separated into two types of endpoints: developmental and reproductive toxicity. Detailed information for the effect associated with observed data is available in the metadata information of the database.
- Analytical verification of doses or concentrations:
- no
- Details on mating procedure:
- QSAR model
- Duration of treatment / exposure:
- QSAR model
- Frequency of treatment:
- QSAR model
- Duration of test:
- QSAR model
- Control animals:
- other: QSAR model
- Maternal examinations:
- This grouping method contains simple categories for Developmental and Reproductive toxicity. This method is relevant for Developmental and Reproductive toxicity endpoints in mammals. The database include a set of 929 chemicals that have been evaluated for their DART potential. These chemicals were grouped into 54 different categories, and 76 sub-categories, based on defined receptor binding and chemical properties, and when known, their MOA. Data is separated into two types of endpoints: developmental and reproductive toxicity. Detailed information for the effect associated with observed data is available in the metadata information of the database.
- Fetal examinations:
- This grouping method contains simple categories for Developmental and Reproductive toxicity. This method is relevant for Developmental and Reproductive toxicity endpoints in mammals. The database include a set of 929 chemicals that have been evaluated for their DART potential. These chemicals were grouped into 54 different categories, and 76 sub-categories, based on defined receptor binding and chemical properties, and when known, their MOA. Data is separated into two types of endpoints: developmental and reproductive toxicity. Detailed information for the effect associated with observed data is available in the metadata information of the database.
- Details on maternal toxic effects:
- Maternal toxic effects:yes
Details on maternal toxic effects:
No adverse effects on the highest dose tested according the DART QSAR method for chemicals properties assessment..
This grouping method contains simple categories for Developmental and Reproductive toxicity. This method is relevant for Developmental and Reproductive toxicity endpoints in mammals. The database include a set of 929 chemicals that have been evaluated for their DART potential. - Dose descriptor:
- NOAEL
- Effect level:
- 3 000 mg/kg bw/day (actual dose received)
- Based on:
- test mat.
- Basis for effect level:
- other: developmental toxicity
- Fetal body weight changes:
- no effects observed
- Details on embryotoxic / teratogenic effects:
- Embryotoxic / teratogenic effects:no effects
- Basis for effect level:
- other: Embryotoxic / teratogenic effects:no effects
- Remarks on result:
- other: No adverse effects on the highest dose tested according the DART QSAR method for chemicals properties assessment.. This method is relevant for Developmental and Reproductive toxicity endpoints in mammals.
- Abnormalities:
- not specified
- Developmental effects observed:
- not specified
- Conclusions:
- NOAEL for developmental toxicity was 3000 mg/kg bw/day (No adverse effects on the highest dose tested) for sodium cumenesulphonate and does not cause developmental toxicity.
Developmental & Reproductive Toxicity (DART): Not known precedent reproductive and developmental toxic potential (DART scheme v.1.0) - Executive summary:
Profiling results:
DNA binding by OECD: No alert found
Est rogen Receptor Binding: Non binder, without OH or NH2 group
OECD HPV Chemical Categories: Hydrotrope surfactants, Linear alkylbenzene sulfonates
Protein binding by OECD: No alert found
Protein binding potency: Not possible to classify according to these rules (GSH)
Superfragments: No superfragment
Toxic hazard classification by Cramer (original): High (Class III)
US-EPA New Chemical Categories: Not categorized
Developmental & Reproductive Toxicity (DART): Not known precedent reproductive and developmental toxic potential (DART scheme v.1.0)
- Endpoint:
- developmental toxicity
- Type of information:
- other: published data
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Qualifier:
- according to guideline
- Guideline:
- other: EPA TSCA, 1985
- Principles of method if other than guideline:
- Female rats were mated with untreated males (1/1) from the same strain. The day of observation of a copulatory plug was defined as day 0 of gestation. Mortality was checked twice daily. Clinical symptoms of dams were noted daily from day 6 to 20. Body weight and food consumption were recorded on day 0, 6, 9, 12, 16 and 20. All females were subjected to macroscopic examination on day 20 or on day of death. The uteri were removed, weighed and examined for number of corpora lutea, implantation sites and the number and location of foetuses and resorptions. Foetuses were inspected on total number, sex, weight and external, visceral (1/2 of foetuses) and skeletal (1/2 of foetuses) defects.
- GLP compliance:
- yes
- Limit test:
- no
- Species:
- rat
- Strain:
- Crj: CD(SD)
- Details on test animals or test system and environmental conditions:
- TEST ANIMALS
- Source: Charles River Laboratories, Michigan
- Age at study initiation: 12.5 weeks
- Weight at study initiation: 243-312g
- Fasting period before study: no data
- Housing: individually in suspended stainless steel wire mesh cages
- Diet: ad libitum
- Water: ad libitum
- Acclimation period: 10 days
ENVIRONMENTAL CONDITIONS
- Temperature (°C): 71-71 degrees F
- Humidity (%): 48-59%
- Air changes (per hr): controlled
- Photoperiod (hrs dark / hrs light): 12/12 - Route of administration:
- oral: gavage
- Vehicle:
- not specified
- Details on exposure:
- PREPARATION OF DOSING SOLUTIONS:
DIET PREPARATION
- Rate of preparation of diet (frequency): weekly
- Mixing appropriate amounts with (Type of food): Purina Certified Rodent Chow #5002
- Storage temperature of food: room temperature
VEHICLE
- Justification for use and choice of vehicle (if other than water): vehicle used but no data - Analytical verification of doses or concentrations:
- yes
- Details on analytical verification of doses or concentrations:
- no data
- Details on mating procedure:
- - Impregnation procedure: cohoused
- If cohoused:
- M/F ratio per cage: 1/1
- Length of cohabitation: until evidence of copulatory plug (7 days maximum)
- Verification of same strain and source of both sexes: yes
- Proof of pregnancy: vaginal plug
- Any other deviations from standard protocol: no data - Duration of treatment / exposure:
- On gestation days 6-15
- Frequency of treatment:
- Daily
- Duration of test:
- Until gestation day 20
- Remarks:
- Doses:150, 1500 and 3000 mg/kg bw (vehicle: water, dosing volume 10 mL/kg);
solutions were prepared weekly. - No. of animals per sex per dose:
- 30 females
- Control animals:
- yes, concurrent no treatment
- Details on study design:
- - Dose selection rationale: prior range finding study (study 715-001)
- Rationale for animal assignment (if not random): random block
- Other: - Maternal examinations:
- Animals were observed twice daily for mortality and signs of overt toxicity. Clinical observations were made from gestation days - 20. Individual body weights were recorded on gestation days 0, 6, 9, 12, 16 and 20. Individual food consumption was recorded concurrent with the body weighing days. Food consumption was calculated. On gestation day 20 all surviving animals were euthanized and immediately examined by cesarean section.
- Ovaries and uterine content:
- The uterus and overies were exposed and examined. The uterus was weighed. The location of viable and nonviable fetuses, early and late resorptions, and the number of total implantations and corpora lutea were recorded. The abdominal and thoracic cavities and organs were examined for grossly evident morphological changes. Uteri from nongravid females were placed in 10% ammonium sulfide solution for detection of implantations.
- Fetal examinations:
- Individual fetuses were weighed, sexed, and examined for external malformations and variations. Approximately one-half of the fetuses were placed in Bouin's solution for subsequent soft-tissue examination using hte Wilson razor-blade sectioning technique. The remainder of the fetuses were prepared for skeletal examination. All gross, visceral and skeletal alterations observed were classified as malformations or developmental variations.
- Statistics:
- Treatment and control groups were subjected to appropriate statistical comparison. Dunnett t-test for body wight, food consumption, numbers of corpora lutea, total implantations, live fetuses and mean fetal body weights. Chi-square or Fishers test for male to female sex ratios and proportion of litters with malformations and developmental variations. Kruskal-Wallis test for the proportion of resorbed and dead fetuses and postimplantation losses
- Indices:
- see "Statistics" above
- Clinical signs:
- no effects observed
- Details on maternal toxic effects:
- Maternal toxic effects:no effects
Details on maternal toxic effects:
One death occurred at the 1500 mg/kg/day dose but it was considered a gavage injury. No clinical observations or necropsy findings. No effects on body weight or body weight gain. There was a significant increase in food consumption for the 3000 mg/kg/day during gestation interval 12-16 but this was considered normal biological variation and not a direct effect of the test substance. - Dose descriptor:
- NOAEL
- Effect level:
- > 3 000 mg/kg bw/day
- Based on:
- test mat.
- Basis for effect level:
- other: developmental toxicity
- Dose descriptor:
- NOAEL
- Effect level:
- > 936 mg/kg bw/day
- Based on:
- act. ingr.
- Basis for effect level:
- other: developmental toxicity
- Fetal body weight changes:
- no effects observed
- Details on embryotoxic / teratogenic effects:
- Embryotoxic / teratogenic effects:no effects
Details on embryotoxic / teratogenic effects:
No indications of developmental toxicity including teratogenesis. All indices were comaparable to the corresponding controls. - Dose descriptor:
- NOAEL
- Effect level:
- > 3 000 mg/kg bw/day
- Based on:
- test mat.
- Sex:
- male/female
- Basis for effect level:
- other: Teratogenicity
- Remarks on result:
- not determinable due to absence of adverse toxic effects
- Abnormalities:
- not specified
- Developmental effects observed:
- not specified
- Conclusions:
- The test substance did not induce developmental or teratogenic effects at doses up to 3000 mg/kg/day test material, equivalent to 936 mg/kg active ingredient.
- Endpoint:
- developmental toxicity
- Type of information:
- other: published data
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study
- Qualifier:
- according to guideline
- Guideline:
- other: OECD Test Guide-line 421
- Principles of method if other than guideline:
- The test was conducted according to OECD guide-line 421. The test substance was administered orally to twelve male and twelve female rats through pre-mating, mating, gestation and lactation periods starting from 14 days before mating until postnatal Day 3 (PND 3).
Dams delivered naturally and were kept until PND 4. All live pups were weighed on PND 0, 1 and 4.
All dams and live pups were sacrificed and necropsied on PND 4 - GLP compliance:
- yes
- Limit test:
- no
- Species:
- rat
- Strain:
- Crj: CD(SD)
- Details on test animals or test system and environmental conditions:
- Ten-week-old male and female rats were used. Twelve male and twelve female animals were used for each dose of 0, 100, 300 and 1000 mg/kg bw/day.
- Route of administration:
- oral: gavage
- Vehicle:
- water
- Details on exposure:
- Test substance was administered orally by gavage. Male animals were dosed from 14 days before mating to the day before scheduled sacrifice through the mating period and thereafter (total 46 days). Female animals were dosed from 14 days before mating to 3 days after delivery through the mating and gestation periods.
For mating, one male to one female mating was used. A female rat was placed together with a male rat until copulation was confirmed. Day 0 of gestation (GD 0) was defined as the day when a vaginal plug or sperm was found. Pregnant female animals were delivered and maintained until 4 days after parturition (PND 4). - Analytical verification of doses or concentrations:
- yes
- Details on analytical verification of doses or concentrations:
- no data
- Details on mating procedure:
- For mating, one male to one female mating was used. A female rat was placed together with a male rat until copulation was confirmed. Day 0 of gestation (GD 0) was defined as the day when a vaginal plug or sperm was found. Pregnant female animals were delivered and maintained until 4 days after parturition (PND 4).
- Duration of treatment / exposure:
- Males: 14 days before mating until sacrifice (pre-mating, mating and post-mating periods: 46 days total) Females: 14 days before mating until the third day after delivery (pre-mating, mating, gestation and lactation periods)
- Frequency of treatment:
- Daily
- Duration of test:
- Sex: male/female Duration of test: Male: 47 days; Female: 40-44 days
- Remarks:
- Doses:0, 100, 300, 1000 mg/kg bw/day
- No. of animals per sex per dose:
- 12/sex/dose
- Control animals:
- yes, concurrent vehicle
- Details on study design:
- Dose selection rationale: no-effect dose level in a previous 28-day repeated oral dose toxicity study was 1000 mg/kg, the high dose level was set at 1000 mg/kg and the middle dose level and the low dose level at 300 and 100 mg/kg, respectively, using a common ratio of approximately 3.
Sex: male/female Duration of test: Male: 47 days; Female: 40-44 days - Maternal examinations:
- Time schedule: least twice daily from day 1 of administration, counting the day administration started as day 1 of administration, to the day of necropsy, the day following day 46 of administration. On the day of necropsy, they were observed once in the morning. - Cage side observations checked in table [No.?] were included. BODY WEIGHT: Yes - Time schedule for examinations:on days 1, 2, 5, 7, 10 and 14 of administration and every 7 days thereafter before dosing of the day, on the last day of administration and the day of necropsy.
- Ovaries and uterine content:
- Vaginal smear specimens were prepared by Giemsa staining every day from 10 days before the start of administration to the day of successful copulation and observed under a light microscope for the stage of estrous cycle (proestrus, estrus, metestrus, and diestrus).
- Fetal examinations:
- All live pups were weighed on days 0, 1 and 4 of lactation. All live pups were checked for survival and death and observed for general condition and external appearance once a day from day 0 of lactation to day 4 of lactation.
- Indices:
- Copulation index (%) Fertility index (%)
Gestation index (%) Live birth index (%) Sex ratioDelivery index (%)Implantation index (%) - Clinical signs:
- no effects observed
- Details on maternal toxic effects:
- Maternal toxic effects:no effects
Details on maternal toxic effects:
With regard to systemic general toxicity, diarrhea or soft feces was observed in male and female groups at 1000 mg/kg bw/day.
Histopathological examination revealed inflammatory cellular infiltration of lamina propria and squamous cell hyperplasia in the stomach limiting ridge in the male group at 1000 mg/kg bw/day.
These changes were significantly different from the controls. Male and female reproduction were not affected by test-substance administration. Test substance showed no effect on the following parental reproductive parameters:
estrous cycle length, mating index, fertility index, numbers of corpora lutea and implantations, implantation index, delivery index, gestation index, gestation length, and parturition and maternal behavior. In examination of neonates, there was no effect of sodium p-toluenesulfonate on the numbers of total offspring and live offspring, sex ratio, live birth index, viability index or body weight.
No compound-related abnormality was found in external features, clinical signs or autopsy findings of offspring.
Based on these results, the NOAEL for developmental toxicity was considered to be 1000 mg/kg bw/day in rats. - Dose descriptor:
- NOAEL
- Remarks:
- developmental toxicity
- Effect level:
- 1 000 mg/kg bw/day
- Based on:
- test mat.
- Basis for effect level:
- other: developmental toxicity
- Dose descriptor:
- NOAEL
- Remarks:
- maternal toxicity
- Effect level:
- 1 000 mg/kg bw/day
- Based on:
- act. ingr.
- Basis for effect level:
- other: maternal toxicity
- Fetal body weight changes:
- no effects observed
- Details on embryotoxic / teratogenic effects:
- Embryotoxic / teratogenic effects:no effects
Details on embryotoxic / teratogenic effects:
No indications of developmental toxicity including teratogenesis. All indices were comaparable to the corresponding controls. - Dose descriptor:
- NOAEL
- Effect level:
- 1 000 mg/kg bw/day
- Based on:
- test mat.
- Sex:
- male/female
- Basis for effect level:
- other: Teratogenicity
- Abnormalities:
- not specified
- Developmental effects observed:
- not specified
- Conclusions:
- Based on these results, the NOAEL for developmental toxicity was considered to be 1000 mg/kg bw/day in rats.
- Executive summary:
With regard to systemic general toxicity, diarrhea or soft feces was observed in male and female groups at 1000 mg/kg bw/day.
Histopathological examination revealed inflammatory cellular infiltration of lamina propria and squamous cell hyperplasia in the stomach limiting ridge in the male group at 1000 mg/kg bw/day.
These changes were significantly different from the controls. Male and female reproduction were not affected by test-substance administration. Test substance showed no effect on the following parental reproductive parameters:
estrous cycle length, mating index, fertility index, numbers of corpora lutea and implantations, implantation index, delivery index, gestation index, gestation length, and parturition and maternal behavior. In examination of neonates, there was no effect of sodium p-toluenesulfonate on the numbers of total offspring and live offspring, sex ratio, live birth index, viability index or body weight.
No compound-related abnormality was found in external features, clinical signs or autopsy findings of offspring.
Based on these results, the NOAEL for developmental toxicity was considered to be 1000 mg/kg bw/day in rats.
Referenceopen allclose all
See attached QSAR study report
Results
NOAELMaternal:3000 mg/kg bw/day (equivalent to 936 mg active ingredient (a.i.)/kg using 31%purity)
NOAELTeratogenicity: 3000 mg/kg bw/day (equivalent to 936 mg a.i./kg using 31% purity)
Results:Mean measured concentration: 96-98% of nominal; stability over 10 daysconfirmed
Dose (mg/kg bw/day) |
0 |
150 |
1500 |
3000 |
DR |
||
Maternal data |
|
||||||
Mortality |
0/30 |
0/30 |
1/30 |
0/30 |
|
||
Clinical signs(A) |
No treatment related effects |
|
|||||
Body weight /body weight gain |
No treatment related effects |
|
|||||
Food intake _NC day 12-16 |
|
|
|
ic |
|
||
Uterus weight |
No treatment related effects |
|
|||||
Necropsy |
No treatment related effects |
|
|||||
Number of pregnant females |
27/30 |
29/30 |
25/30 |
25/30 |
|
||
Number of corpora lutea and implantation sites /dam |
No treatment related effects |
|
|||||
Pre-implantation loss |
No treatment related effects |
|
|||||
Post-implantation loss/ resorptions |
No treatment related effects |
|
|||||
Embryonic / foetal resorptions |
No treatment related effects |
|
|||||
Number of live foetuses/ dam |
No treatment related effects |
|
|||||
Foetal data |
|
||||||
Number of litters included in evaluations |
27 |
28 |
25 |
25 |
|
||
Foetal weight |
No treatment related effects |
|
|||||
External examination / sex |
No treatment related effects |
|
|||||
Anomalies: visceral/ skeletal(B) |
No treatment related effects |
|
Effect on developmental toxicity: via oral route
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- NOAEL
- 1 000 mg/kg bw/day
- Study duration:
- subchronic
- Species:
- rat
- Quality of whole database:
- The available developmental study was fully documented and conducted in accordance with GLP. Based on these results, the NOAEL for developmental toxicity was considered to be 1000 mg/kg bw/day in rats.
Effect on developmental toxicity: via inhalation route
- Endpoint conclusion:
- no study available
Effect on developmental toxicity: via dermal route
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
Based on the hazard assessment of Sodium cumenesulphonate in section 2.1 and 2.2. in IUCLID 6., available data for the substance and following the “Guidance on Information Requirement and Chemical Safety Assessment R.8. Characterisation of dose [concentration]- response for human health” andaccording to the criteria described in Directive 67/548 and in the CLP Regulation:
Directive 67/548 |
Toxicity to reproduction/development Repr. Cat. 1; R61 May cause harm to the unborn child. Repr. Cat. 2; R61 May cause harm to the unborn child. Repr. Cat. 3; R63 Possible risk of harm to the unborn child. Toxicity to reproduction/fertility Repr. Cat. 1; R60 May impair fertility. Repr. Cat. 2; R60 May impair fertility. Repr. Cat. 3; R62 Possible risk of impaired fertility
|
CLP |
Reproductive toxicity Repr. 1A Repr. 1B Repr. 2 H360: May damage fertility or the unborn child <state specific effect if known > <state route of exposure if it is conclusively proven that no other routes of exposure cause the hazard>. H361: Suspected of damaging fertility or the unborn child <state specific effect if known> |
It is concluded that the Sodium cumenesulphonate does not meet the criteria to be classified for human health hazards for Reproductive toxicity.
Additional information
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