Registration Dossier
Registration Dossier
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: - | CAS number: -
- 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:
- read-across from supporting substance (structural analogue or surrogate)
- Remarks:
- the tested substance is the acid part of the compound
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Study well documented, meets generally accepted scientific principles, acceptable for assessment
- Objective of study:
- excretion
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- 8 male Wistar rats (160-200g) were given a single i.p. dose of 384.7 μg sodium alkylbenzene-[14C]sulfonate (DBS) (2.26±0.15 mg/kg bw) in a 0.6% physiological NaCl solution. Excretion of14C in feces and urine was monitored for 10 days.
- GLP compliance:
- not specified
- Radiolabelling:
- yes
- Remarks:
- 14C-labelled Sodium alkylbenzene sulfonate
- Species:
- rat
- Strain:
- Wistar
- Sex:
- male
- Details on test animals or test system and environmental conditions:
- male Wistar rats(160-200g)
- Route of administration:
- intraperitoneal
- Vehicle:
- other: 0.6% physiological NaCl solution
- Details on exposure:
- 14C-labelled Sodium alkylbenzene sulfonate was mixed homogeneously into a powdered rat chow. The [14C]DBS-treated diet and the drinking water were given daily ad lib.
- Duration and frequency of treatment / exposure:
- 10days
- Remarks:
- Doses / Concentrations:
single i.p. dose of 0.385mg [14C]DBS per rat(2.26 +/- 0.1 5 mg/kg bw). - No. of animals per sex per dose / concentration:
- 8 male rats
- Control animals:
- yes
- Details on study design:
- 8 male Wistar rats (160-200 g) were kept in individual metabolism cages that allowed separate collection of urine and feces. Each rat was given a single i.p. dose of 0.3847 mg [14C]DBS in a 0.6% physiological NaCl solution. Excretion of 14C in feces and urine was monitored for 10 days.
- Details on dosing and sampling:
- 8 male rats each received a single i.p. dose of 0.3847 mg [14C]DBS per animal resulting in a dose of 2.26 +/- 0.15 mg/kg bw.
- Details on excretion:
- Within 10 days after dosing, the animals excreted 94.5% of the dose applied, 84.7% in the first 24h.
- Metabolites identified:
- yes
- Details on metabolites:
- Analysis of feces and urine for the acid and its metabolites :Approx. 90% of the 14C in feces and 65% in urine samples, collected from the long–term and the i.p. study, respectively, could be extracted. By means of column chromatography, a polar metabolic fraction was purified and isolated by t.l.c. techniques. Unchanged DBS could not be detected either in feces or in urine extracts. No further attempts were made to identify the polar metabolites. The metabolic studies with rhesus monkeys by Crosswell were confirmed with respect to the fact that no unchanged acid was excreted in the urine. Michael showed that 19% of LAS excreted in the feces of rats was not metabolized following a single oral dose. From the present long-term feeding and the single i.p. experiments with rats, however, it is obvious that the 14C activity in feces too, consisted only of a polar fraction.
- Conclusions:
- Interpretation of results (migrated information): no bioaccumulation potential based on study results
Single i.p. application of 0.385 mg [14C]acid/rat (2.26 +/- 0.15 mg/kg bw) resulted in a total elimanation of 94.5% within 10 days. 84.7% of the dose was elimenated in the first 24 h. All fecal and renal [14C]acid-derived activity consisted of highly polar metabolities. - Executive summary:
8 male Wistar rats (160-200g) were given a single i.p. dose of 384.7 μg sodium acid-[14C]sulfonate (DBS) (2.26±0.15 mg/kg bw) in a 0.6% physiological NaCl solution. Excretion of14C in feces and urine was monitored for 10 days.Within 10 days after dosing, the animals excreted 94.5% of the dose applied, 84.7% in the first 24h. i.p. treatment resulted in a minor14C elimination in the feces(35.0±4.6%) on the first day of the experiment, whereas renally excreted radioactivity amounted to 49.7±5.7%. From days 2-10 of the excretion study, however, the percentage of radioactive products in the feces wassignificantly higher than in the urine.The results of this experiment showed that, independent of the route of administration, the daily excretion of radioactive products occurs mainly in the feces with the exception of the first day of the i.p. experiment, when the peak of14C elimination was in the urine.
- Endpoint:
- basic toxicokinetics in vivo
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Remarks:
- the tested substance is the acid part of the compound
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Study well documented, meets generally accepted scientific principles, acceptable for assessment
- Objective of study:
- distribution
- excretion
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The [14C]acid part-treated diet and the drinking water were given daily ad lib. The chemical was mixed homogeneously into a powdered rat chow, resulting in an actual concentration of 1.40mg/kg diet. The measurement of food consumption and the collection of feces and urine were carried out in a 24h cycle
- GLP compliance:
- not specified
- Radiolabelling:
- yes
- Remarks:
- 14C-labelled Sodium salt of the acid part
- Species:
- rat
- Strain:
- Wistar
- Sex:
- male
- Details on test animals or test system and environmental conditions:
- male Wistar rats (120-140 g)
- Route of administration:
- oral: feed
- Vehicle:
- unchanged (no vehicle)
- Details on exposure:
- 14C-labelled Sodium dodecylbenzene sulfonatel was mixed homogeneously into a powdered rat chow. The [14C]DBS-treated diet and the drinking water were given daily ad lib.
- Duration and frequency of treatment / exposure:
- 35 days
- Remarks:
- Doses / Concentrations:
1.40 mg/kg - No. of animals per sex per dose / concentration:
- 12
- Control animals:
- yes
- Details on study design:
- The [14C]DBS was administered daily in the diet at a concentration of 1.4 mg/kg to male rats for 5 weeks. 6 rats were killed for the determination of radioactive residues in different tissues, while the remaining 6 rats served for a 1 week clearance study.
- Details on dosing and sampling:
- The [14C]DBS-treated diet and the drinking water were given daily ad lib. The chemical was mixed homogeneously into a powdered rat chow, resulting in an actual concentration of 1.40mg/kg diet. The measurement of food consumption and the collection of feces and urine were carried out in a 24h cycle.
- Details on distribution in tissues:
- Low levels of [14C]DBS-derived residues were detected in all tissues
- Details on excretion:
- 14C excretion in feces : 0.635 +/- 0.036mg14C excretion in urine : 0.357 +/- 0.041mg
- Metabolites identified:
- yes
- Details on metabolites:
- Analysis of feces and urine for DBS and its metabolites :Approx. 90% of the 14C in feces and 65% in urine samples, collected from the long–term and the i.p. study, respectively, could be extracted. By means of column chromatography, a polar metabolic fraction was purified and isolated by t.l.c. techniques. Unchanged DBS could not be detected either in feces or in urine extracts. No further attempts were made to identify the polar metabolites. The metabolic studies with rhesus monkeys by Crosswell were confirmed with respect to the fact that no unchanged DBS/LAS was excreted in the urine. Michael showed that 19% of LAS excreted in the feces of rats was not metabolized following a single oral dose. From the present long-term feeding and the single i.p. experiments with rats, however, it is obvious that the 14C activity in feces too, consisted only of a polar fraction.
- Conclusions:
- Interpretation of results (migrated information): no bioaccumulation potential based on study results
This chemical was administered daily in the diet at a concentration of 1.4 mg/kg to male rats for 5 weeks. From the total uptake (1.213 +/- 0.08mg/animal) of DBS, 81.8% was excreted during the dosing period; 52.4% in feces and 29.4% in urine. Low levels of [14C]DBS-derived residues were detected in all tissues analyzed on day 35 of the experiment. Following 1 week on normal diet only 7.8% of the nominally stored amount of 14C was found in the excreta - Executive summary:
Sodium acid-[14C]sulfonate was administered daily in the diet at a concentration of 1.4 mg/kg bw to male rats for 5 weeks. From the total uptake (1,213±0.08 mg/animal) of the acid, 81.8% was excreted during the dosing period: 52.4% in feces and 29.4% in urine. Low levels of Sodium acid sulfonate-derived residues were detected in all tissues in rat body analyzed on day 35 of the experiment. Colon is the tissue containing the highest amounts of radioactivity.
- Endpoint:
- dermal absorption in vivo
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Remarks:
- the tested substance is the acid part of the compound
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Well documented study in peer-reviewed publication.
- 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%.
- Endpoint:
- dermal absorption in vitro / ex vivo
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Remarks:
- the tested substance is the acid part of the compound
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Well documented study in peer-reviewed publication.
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- -Radiolabelled test substance was applied (0.1 ml of a 3 mM solution) to samples of human abdominal skin from four female cadavars. Exposure time was 48 hrs. Analysis by liquid scintillation counting was done at 0.5, 1, 2, 3, 4, 6, 7, 8, 24, and 48 hrs. Penetration through human skin was negligible, with < 0.07% absorbed in 48 hrs.
- 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. - GLP compliance:
- not specified
- Radiolabelling:
- yes
- Species:
- human
- Sex:
- female
- Duration of exposure:
- 48 hrs
- Doses:
- 0.1 ml of 3 mM solution
- No. of animals per group:
- four skin samples
- Details on study design:
- - 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.
- Details on in vitro test system (if applicable):
- SKIN PREPARATION
- Source of skin: human cadavars
- Ethical approval if human skin:
- Type of skin: abdominal
- Preparative technique: Epidermal samples were heated at 58 degrees C for 2 min. Samples were placed in 1 cm diamter penetration cells, and saline with 0.012% penicillin, 0.01% streptomycin was placed on both surfaces of the cells. The cells were equilibrated at 37 degrees C for 24 hrs.
- Membrane integrity check: Only cells with electrical resistance greater than 50,000 ohms were used.
- Storage conditions: -70 degree C - Signs and symptoms of toxicity:
- not examined
- Dermal irritation:
- yes
- Remarks:
- some swelling was seen after 48 hrs of contact
- Absorption in different matrices:
- Only 30% of the test substance was removed by rinsing, with 70 % remaining associated with the skin.
- Dose:
- 152.9 micrograms/cm^2
- Parameter:
- percentage
- Absorption:
- < 0.07 %
- Remarks on result:
- other: 2 hrs
- Dose:
- 152.9 micrograms/cm^2
- Parameter:
- percentage
- Absorption:
- < 0.07 %
- Remarks on result:
- other: 6 hrs
- Dose:
- 152.9 micrograms/cm^2
- Parameter:
- percentage
- Absorption:
- < 0.07 %
- Remarks on result:
- other: 48 hrs
- Conclusions:
- The in vitro penetration through human skin after a 48 hr exposure was < 0.07%.
- Executive summary:
Radiolabelled test substance was applied (0.1 ml of a 3 mM solution) to samples of human abdominal skin from four female cadavars. Exposure time was 48 hrs. Analysis by liquid scintillation counting was done at 0.5, 1, 2, 3, 4, 6, 7, 8, 24, and 48 hrs. Penetration through human skin was negligible, with < 0.07% absorbed in 48 hrs.
Referenceopen allclose all
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
Toxicokinetics
No experimental data on absorption, distribution and excretion is available for the target substance.
a. Amine component
In a review by the Australian authorities the following was included:
Toxicokinetic data available indicate that 25 % of 14C labelled amine applied (19.5 mg/kg) to the skin of four female Fischer 344 (F344) rats was absorbed through the skin after 48 hours. Almost half (12.5 %) of the absorbed chemical was excreted in urine and the other half remained in the tissues of the animals, although, no accumulation was detected in fat. In a further study, intravenous administration of carbon-14 labelled amine (19 mg/kg) to four female F344 rats showed a fast elimination rate with 70 % of the radioactivity cleared from the blood within six hours. The majority (90 %) of the dose was excreted as the parent chemical and no metabolites were identified in the urine within 12 hours[1].
b. Acid component
The sodium salt of the acid is readily absorbed by the gastro-intestinal tract after repeated exposure for 5 weeks (82% of the administered dose), but absorption via the skin is very low (0.07-0.3% of the administered dose). The acid is distributed to most organs, except the uterus, and the major part is metabolised in the liver to sulfophenyl carboxyl acids. The substance metabolites are eliminated primarily via the urine and faeces (ca 30 and 50% respectively). No accumulation of the acid or its main metabolites has been observed has been observed[2][3].
c. Salt compound
Based on the physico-chemical characteristics of the acid and the amine, taking into account that the salt will readily dissolve into the gastrointestinal fluids and thus be present in its dissociated form, the absorption after oral administration of the substance can be attributed to the absorption of cationic and the anionic part. As was found for the source substances, it is expected that absorption will be significant although the ionic nature of the parts will hamper absorption to a certain extent with the amine as the smaller molecule being the main candidate. The low vapour pressure indicates that the salt is non-volatile at room temperature and thus the exposure of the substance via inhalation route is unlikely. Therefore, absorption via inhalation is not further discussed. At dermal exposure the salt is expected to be present in its undissociated form and the uptake is expected to be very low based on high water solubility and low log Kow. The salt may be too hydrophilic to cross the lipid rich environment of the stratum corneum.
Based on the low Log Kow and high water solubility, both the acid and amine are expected to remain in the body fluids and to be rapidly excreted either via urine (the amine) or urine and faeces (the acid and its metabolites). No bioaccumulation is expected.
Concluding the absorption of the compound via the oral route is set at the default of 100%, while dermal absorption is set at the default value of 10%. This conclusion has been drawn in absence of data on toxicokinetics for the target substance. The metabolism and excretion data are based on the limited information from the acid and amine. No other metabolic pathways are however expected for these kinds of substances.
[1]INVENTORY MULTI-TIERED ASSESSMENT AND PRIORITISATION (IMAP), HUMAN HEALTH TIER II ASSESSMENT FOR 2-Propanol, 1-amino- n CAS Number: 78-96-6
[2](Lay JP et al., Elimination and biodistribution studies of [14C]Alkylbenzene sulfonate in rats, following low dosing in the daily diet and single i.p. administration Toxicology letters, 17(1983), 187-192
[3]Howes D, The percutaneous absorption of some anionic surfactants J. Soc. Cosmet. Chem. 26 (1975): 47-63.
Key value for chemical safety assessment
- Bioaccumulation potential:
- no bioaccumulation potential
- Absorption rate - oral (%):
- 100
- Absorption rate - dermal (%):
- 10
Additional information
Theoretical assessment based on information on the cation and anion.
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.

EU Privacy Disclaimer
This website uses cookies to ensure you get the best experience on our websites.