Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
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
Link to relevant study record(s)
- Endpoint:
- basic toxicokinetics in vivo
- Type of information:
- other: published data
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with national standard methods with acceptable restrictions
- Objective of study:
- distribution
- excretion
- toxicokinetics
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Purebred beagles were fasted overnight before they were treated. Animals were housed in metabolism cages designed to allow the separate collection of urine and feces. Samples of feces were homogenized with 2-3 vol methanol. About 50-100 mg of homogenate was transferred to a tared scintillation vial containing 1 ml of NCS solubilizer.
The sample was shaken for at least 1hr, bleached with 30% hydrogen peroxide, and counted with 15 ml of Bray scintillation fluid. Samples of urine were counted directly in 15 ml of Bray scintillation fluid.
Blood was analyzed by digesting a 0.2-ml sample in 0.5 ml of 1.0N NaOH and heating overnight at 80 degrees C.
The sample was then bleached with 30% hydrogen peroxide, neutralized with 0.2 ml of 2 -ethylhexanoic acid, and counted with 15 ml of Bray scintillation fluid. For extraction, fecal homogenates were centrifuged; the supernatant fluid was recovered and saved.
A volume of chloroform-methanol (1:1) equal to that of the supernatant fluid recovered above was added to the fecal residue, and the mixture was shaken for 30 min and centrifuged; the supernatant fluid was recovered and saved. This last step was repeated a second time.
The supernatants were combined, and spotted directly for chromatography, or were first concentrated to a suitable volume at 40 -50 degrees C under reduced pressure.
The extraction procedure removed from the feces of rats and dogs that had been treated with sodium p-toluene sulfonate-35S an average of 81.9 and 72.6 % of the radioactivity present, respectively.
In other experiments, when sodium p-toluenesulfonate-35S was added to fecal homogenates from untreated rats and dogs, the procedure extracted 87.0 and 80.0% of the radioactivity, respectively. Radioactivity was measured with a Packard Tri-Carb liquid scintillation spectrometer, Model 3380.
Counting efficiency was determined with automatic external standardization and the use of previously prepared quench curves.
Samples of urine or of fecal extracts were spotted on plates of silica gel Q1-F2 and developed in the following solvent systems: benzene-ammonia-dioxane (35:5:60); n-butanol-100% ethanol-ammonia-Water (40:4:1:9); and 95% ethanol-1 N ammonia (95:5). - GLP compliance:
- not specified
- Specific details on test material used for the study:
- Sodium p-toluenesulfonate-35S (specific activity: 7.0uCi/mg, radiochemical purity: 99%)
- Radiolabelling:
- yes
- Species:
- dog
- Strain:
- Beagle
- Sex:
- male/female
- Route of administration:
- oral: gavage
- Vehicle:
- water
- Duration and frequency of treatment / exposure:
- Single administration
- Dose / conc.:
- 17.4 mg/kg bw/day (nominal)
- No. of animals per sex per dose / concentration:
- 1/sex/dose
- Control animals:
- not specified
- Type:
- excretion
- Results:
- Excretion of the unchanged parent substance measured: urine 84.5% of which 80.4% was excreted in the first 24 hours; feces 17.5% of which 12.2% was excreted in the first 24 hours.
- Details on absorption:
- The substance is rapidly absorbed given that almost 85% of the substance was excreted in the urine within 24 hours of dosing.
- Details on distribution in tissues:
- Not specified
- Details on excretion:
- The substance was excreted primarily in the urine, with 84.5% being excreted over 4 days.
- Key result
- Toxicokinetic parameters:
- half-life 1st: 75 minutes
- Metabolites identified:
- not specified
- Details on metabolites:
- Chromatographic analysis of excreta indicated that only the unaltered tosylate-35S moeity had been excreted. In none of the three solvent systems employed was the presence of any metabolite detected.
- Conclusions:
- Interpretation of results : no bioaccumulation potential based on study results
The substance is rapidly absorbed following oral gavage adminstration and the substance is excreted unchanged primarily in the urine. - Executive summary:
In a metabolism study the substance was administered to beagle dogs (1 animals/sex/dose) by oral gavage at a dose level of 17.4 mg/kg bw (single administration). Urine and feces were collected daily for 4 days. The substance was excreted unchanged primarily in the urine.
- Endpoint:
- basic toxicokinetics in vivo
- Type of information:
- other: published data
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with national standard methods with acceptable restrictions
- Objective of study:
- distribution
- excretion
- toxicokinetics
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Rats of the Sprague-Dawley strain (Charles River CD) were fasted overnight before they were treated. Animals were housed in metabolism cages designed to allow the separate collection of urine and feces. Samples of feces were homogenized with 2-3 vol methanol.
About 50-100 mg of homogenate was transferred to a tared scintillation vial containing 1 ml of NCS solubilizer. The sample was shaken for at least 1 hour, bleached with 30% hydrogen peroxide, and counted with 15 ml of Bray scintillation fluid. Samples of urine were counted directly in 15 ml of Bray scintillation fluid.
Blood was analyzed by digesting a 0.2 -ml sample in 0.5 ml of 1.0N NaOH and heating overnight at 80 degrees C.
The sample was then bleached with 30% hydrogen peroxide, neutralized with 0.2 ml of 2-ethylhexanoic acid, and counted with 15 ml of Bray scintillation fluid. Rat carcasses were ground in a meat grinder, and about 100 mg of the well-mixed sample was treated with 2 ml of NCS solubilizer. Similarly, a 0.4 -ml sample of plasma was dissolved in 2 ml of NCS solubilizer.
Both the tissue and plasma samples were counted with 15 ml of toluene scintillation fluid, which contained, per liter of toluene, 5 g of 2,5-diphenyloxazole and 300 mg of 1,4-bis-2(4-methyl-5-phenyloxazolyl) benzene.
For extraction, fecal homogenates were centrifuged; the supernatant fluid was recovered and saved.
A volume of chloroform-methanol (1:1) equal to that of the supernatant fluid recovered above was added to the fecal residue, and the mixture was shaken for 30 minutes and centrifuged; the supernatant fluid was recovered and saved. This last step was repeated a second time.
The supernatants were combined and spotted directly for chromatography, or were first concentrated to a suitable volume at 40-50 degrees C under reduced pressure.
The extraction procedure removed from the feces of rats and dogs that had been treated with sodium p-toluene sulfonate-35S an average of 81.9 and 72.6 % of the radioactivity present, respectively. In other experiments, when sodium p-toluenesulfonate-35S was added to fecal homogenates from untreated rats and dogs, the procedure extracted 87.0 and 80.0% of the radioactivity, respectively. Radioactivity was measured with a Packard Tri-Carb liquid scintillation spectrometer, Model 3380. Counting efficiency was determined with automatic external standardization and the use of previously prepared quench curves.
Samples of urine or of fecal extracts were spotted on plates of silica gel Q1 -F2 and developed in the following solvent systems:
benzene-ammonia-dioxane (35:5:60); n-butanol-100% ethanol-ammonia-Water (40:4:1:9); and 95% ethanol-1 N ammonia (95:5) - GLP compliance:
- not specified
- Specific details on test material used for the study:
- Sodium p-toluenesulfonate-35S (specific activity: 7.0uCi/mg, radiochemical purity: 99%)
- Radiolabelling:
- yes
- Species:
- rat
- Strain:
- Sprague-Dawley
- Sex:
- male/female
- Route of administration:
- oral: gavage
- Vehicle:
- water
- Duration and frequency of treatment / exposure:
- Single administration
- Dose / conc.:
- 34.8 mg/kg bw/day (nominal)
- Remarks:
- Single dose.
- No. of animals per sex per dose / concentration:
- Males: 2/doseFemales: 2/dose
- Control animals:
- not specified
- Type:
- excretion
- Results:
- Excretion of the unchanged parent substance: urine 82% of which 80% was excreted within the first 24 hours; Feces 13% of which the first 11.7% was excreted within the first 24 hours.
- Details on absorption:
- The substance is rapidly absorbed given that almost 85% of the substance was excreted in the urine within 24 hours of dosing.
- Details on distribution in tissues:
- Not specified
- Details on excretion:
- The primary excretory pathway is urinary with 82 to 85% of the dose being elimited via this route.
- Key result
- Toxicokinetic parameters:
- half-life 1st: 75 minutes
- Metabolites identified:
- no
- Details on metabolites:
- Chromatographic analysis of excreta indicated that only the unaltered tosylate-35S moeity had been excreted. In none of the three solvent systems employed was the presence of any metabolite detected.
- Conclusions:
- Interpretation of results : no bioaccumulation potential based on study results
The substance is rapidly absorbed following oral gavage adminstration and the substance is excreted unchanged primarily in the urine. - Executive summary:
In a metabolism study the substance was administered to Sprage Dawley rats (2 animals/sex/dose) by oral gavage at a dose level of 34.8 mg/kg bw (single administration). Urine and feces were collected daily for 4 days. The substance was excreted unchanged primarily in the urine.
- Endpoint:
- dermal absorption
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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: US EPA accepted QSAR method for organic chemicals properties assessment.
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- Using the DERMWIN v2.01 QSAR model
- GLP compliance:
- no
- Remarks:
- not applicable to QSAR models
- Radiolabelling:
- no
- Species:
- other: QSAR model,
- Strain:
- other: QSAR model,
- Sex:
- not specified
- Type of coverage:
- other: QSAR model
- Vehicle:
- other: QSAR model
- Duration of exposure:
- not applicable to QSAR models
- Doses:
- not applicable to QSAR models
- No. of animals per group:
- not applicable to QSAR models
- Control animals:
- no
- Details on study design:
- not applicable to QSAR models
- Details on in vitro test system (if applicable):
- not applicable to QSAR models
- Signs and symptoms of toxicity:
- not specified
- Dermal irritation:
- not specified
- Absorption in different matrices:
- A QSAR model predicts that the permeability of Sodium cumenesulphonate to human skin is quite low. The permeability coefficient was determined to be 0.0165 mg/cm2, which is around 1% of the skin penetration rate.Predicted dermally absorbed coefficient was determined to be Kp (est)= 8.99e-006 cm/hr.
- Conclusions:
- A QSAR model predicts that the permeability of Sodium cumenesulphonate to human skin is quite low. The permeability coefficient was determined to be 0.0165 mg/cm2, which is around 1% of the skin penetration rate.Predicted dermally absorbed coefficient was determined to be Kp (est)= 8.99e-006 cm/hr.
- Executive summary:
A QSAR model predicts that the permeability of Sodium cumenesulphonate to human skin is quite low. The permeability coefficient was determined to be 0.0165 mg/cm2, which is around 1% of the skin penetration rate.Predicted dermally absorbed coefficient was determined to be Kp (est)= 8.99e-006 cm/hr.
- Endpoint:
- dermal absorption in vivo
- 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:
- no guideline followed
- Principles of method if other than guideline:
- Radiolabelled test substance (3 mM solution) was applied to the shaved skin of female rats. The exposure lasted 15 min, after which is was rinsed off. After a 24 hr observation period during feces, urine, and expired air was collected, the animals were sacrificed and the excised skin was examined by autoradiography
- GLP compliance:
- not specified
- Radiolabelling:
- yes
- Species:
- rat
- Strain:
- other: Colworth-Wistar
- Sex:
- female
- Details on test animals or test system and environmental conditions:
- TEST ANIMALS
- Weight at study initiation: 100-120 g
- Housing: sealed metabolism cages
- Individual metabolism cages: yes
ENVIRONMENTAL CONDITIONS
- Air changes (per hr): 1.5 L/min - Type of coverage:
- open
- Vehicle:
- other: Two test solutions were made: water, and 25% polyethylene glycol 400 in water.
- Duration of exposure:
- 15 min
- Doses:
- - Nominal doses: 3 mM solution
- Dose volume: 0.2 ml - No. of animals per group:
- no data
- Control animals:
- no
- Details on study design:
- DOSE PREPARATION
- Method for preparation of dose suspensions: The test substance was added to the vehicle and homogenized and equilibrated at 40 degrees C for 24 hrs. The pH was then adjusted to 9.5 by adding 0.01 n NaOH or HCl.
TEST SITE
- Preparation of test site: 24 hrs before application, hair was removed with clippers. Only animals with intact skin were used.
- Area of exposure: 7.5 cm^2
SITE PROTECTION / USE OF RESTRAINERS FOR PREVENTING INGESTION: yes: Animals were anesthetized during exposure. During the 24 hr observation period the animals were fitted with restraining collars or non-occlusive patches. Non-occlusive patches were made of three layers of surgical gauze 1 cm larger in each dimension than the exposure area. Over this, a stainless steel 100 mesh gauze was placed and secured with surgical strapping with holes punctured in it.
SAMPLE COLLECTION
- Collection of urine and faeces: for 24 hrs after exposure
- Collection of expired air: for 24 hrs after exposure
SAMPLE PREPARATION
- Preparation details: feces were freezed dried, carcasses were homogenized in a blender and then freeze dried
ANALYSIS
- Method type(s) for identification: Liquid scintillation counting, excised skin was examined by autoradiography - Signs and symptoms of toxicity:
- not specified
- Dermal irritation:
- not specified
- Absorption in different matrices:
- - Non-occlusive cover: < 2 micrograms
- Skin wash: 135 +/- 27 micrograms
- Skin test site: Heavy deposition was seen on the skin surface, and in the upper hair follicles, 11+/-4 micrograms
- Urine: none
- Faeces: none - Dose:
- 250 micrograms
- Parameter:
- percentage
- Absorption:
- < 0.3 %
- Remarks on result:
- other: 24 hrs after exposure
- Conclusions:
- The in vivo penetration through rat skin after a 15 min exposure was < 0.3%.
- Executive summary:
Radiolabelled test substance (3 mM solution) was applied to the shaved skin of female rats. The exposure lasted 15 min, after which is was rinsed off. After a 24 hr observation period during feces, urine, and expired air was collected, the animals were sacrificed and the excised skin was examined by autoradiography. Results show that the test substance, which is of low solubility, did not penetrate through the skin to any significant degree. The amount of test substance penetrating the skin was below the detection limit. The penetration through rat skin was < 0.3%.
Referenceopen allclose all
The excretion of radioactivity by dogs with sodium p-toluenesulfonate-35S 17.4 mg/kg is shown in Table 1.
Table1. Average excretion of sodium p-toluenesulfonate-35S, its metabolites, or both in the urine and feces of dogs (oral).
==========================================================
Average % of dose +/- SE Time
------------------------------------------------
(days) Urine Feces Total
----------------------------------------------------------
1 80.4+/-14.1 12.2+/-7.3 92.6+/-8.4
2 1.93+/-0.81 1.83+/-1.02 3.77+/-1.83
3 0.35+/-0.16 1.29+/-0.68 1.64+/-0.84
4 0.25+/-0.12 1.41+/-0.97 1.66+/-1.04
5 0.30+/-0.16 0.78+/-0.44 1.08+/-0.58
Pan rinse 1.30+/-0.73 - 1.30+/-0.73
-------- ---------- ---------
84.5 17.5 102.1
===========================================================
No difference in the amounts of radioactivity excreted was noted between dogs that had been treated with oral administration or intraperitoneal injection. In dogs, maximum levels of sodium p-toluenesulfonate-35S equivalents, 34.01 and 51.37 μg/mL, were present in the blood and plasma, respectively, within 30 min after dosing.
The half-life of the decline of drug equivalents in the plasma was 75 min during the interval of 1-6 hr.
Chromatographic analysis of excreta indicated that only the unaltered p-toluenesulfonate-35S moiety had been excreted.
This study demonstrated that dogs do not metabolize sodium p-toluenesulfonate
The excretion of radioactivity by rats with sodium p-toluenesulfonate-35S 34.8 mg/kg is shown in Table1.
Table1. Average excretion of sodium p-tolueneslfonate-35S, its metabolites, or both in the urine and feces of rats.
___________________________________________________________________
Average % of dose +/- SE
Time --------------------------------------
(days) Urine Feces Total
----------------------------------------------------------
1 80.8+/-4.2 11.7+/-5.4 92.5+/-1.7
2 1.04+/-0.38 1.26+/-0.76 2.30+/-1.13
3 0.085+/-0.029 0.023+/-0.015 0.108+/-0.04
4 0.050+/-0.021 0.013+/-0.006 0.063+/-0.02
Cage rinse 0.014+/-0.011 - 0.014+/-0.011
_____________________________________________________________
82.0 13.0 95.0
______________________________________________________________________
Chromatographic analysis of excreta indicated that only the unaltered p-toluenesulfonate-35S moiety had been excreted.
This study demonstrated that rats do not metabolize sodium p-toluenesulfonate
A QSAR model predicts that the permeability of Sodium cumenesulphonate to human skin is quite low. The permeability coefficient was determined to be 0.0165 mg/cm2, which is around 1% of the skin penetration rate.Predicted dermally absorbed coefficient was determined to be Kp (est)= 8.99e-006 cm/hr.
The amount of test substance that penetrated the skin was below the detection limit of 0.1 micrograms/cm2 or less than 0.3% of the initial dose.
Description of key information
The studies on absorption, distribution, metabolism and elimination for Sodium p-toluenesulfonate-35S were identified as read across for sodium cumenesulphonate.
Sodium p-toluenesulfonate-35S was rapidly absorbed and excreted by rats and dogs given an oral or intraperitoneal administration. Both species excreted the radioactivity primarily in the urine (82–85 % of the dose) and, to a lesser extent, in the feces (13–18 % of the dose). In dogs, sodium p-toluenesulfonate-35S had a biological half-life in the plasma of 75 min. Only the unaltered p-toluenesulfonate-35S moiety was detected chromatographically in the excreta of both species.
A QSAR model predicts that the permeability of Sodium cumenesulphonate to human skin is quite low. The permeability coefficient was determined to be 0.0165 mg/cm2, which is around 1% of the skin penetration rate.Predicted dermally absorbed coefficient was determined to be Kp (est)= 8.99e-006 cm/hr.
Key value for chemical safety assessment
- Bioaccumulation potential:
- no bioaccumulation potential
- Absorption rate - dermal (%):
- 1
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.