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EC number: 939-412-9 | CAS number: 85586-38-5
- 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
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Basic toxicokinetics
Administrative data
- Endpoint:
- basic toxicokinetics in vivo
- Type of information:
- migrated information: read-across based on grouping of substances (category approach)
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Expert judgement combined with experimental data.
Data source
Reference
- Reference Type:
- secondary source
- Title:
- SIDS Category of Alkyl sulfates, Alkane sulfonates and Alpha-olefin sulfonates
- Author:
- OECD
- Year:
- 2 007
- Bibliographic source:
- UNEP Publications
Materials and methods
- Objective of study:
- toxicokinetics
- Principles of method if other than guideline:
- No guideline exists for this type of appraisal.
- GLP compliance:
- no
Test material
- Details on test material:
- not applicable
Constituent 1
- Radiolabelling:
- other: partly
Test animals
- Species:
- other: rat, dog and human
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- not applicable
Administration / exposure
- Route of administration:
- oral: unspecified
- Duration and frequency of treatment / exposure:
- Various, for details see SIDS
Doses / concentrations
- Remarks:
- Doses / Concentrations:
Various, for details see SIDS
- No. of animals per sex per dose / concentration:
- Various, for details see SIDS
- Control animals:
- other: Various, for details see SIDS
Results and discussion
Main ADME resultsopen allclose all
- Type:
- absorption
- Results:
- After oral administration, alkyl sulfates are well absorbed in rats, dogs and humans.
- Type:
- excretion
- Results:
- The major path of excretion of the alkyl sulfates is the urine.
Toxicokinetic / pharmacokinetic studies
- Details on absorption:
- After oral administration, alkyl sulfates are well absorbed in rats, dogs and humans. This was indicated by excretion of up to 98% of the dose administered (maximum for C12ASO4Na in the urine and by comparison of excretion after oral and i.v. or i.p. application for C11ASO4K, C12ASO4K and C18ASO4Na alkyl sulfates.
- Details on distribution in tissues:
- After application of 14.4 mg/kg of the erythromycin salt of C16ASO4 to dogs or 250 mg/person to humans, radioactivity in plasma was maximal within 30 minutes to 2 hours of oral administration in both species indicating rapid absorption. The plasma concentration declined rapidly afterwards and reached 10% of the maximum concentration after 6 hours, indicating rapid elimination.
Whole body autoradiography has been performed to follow the distribution of 35S-C10ASO4K, C12ASO4K and C18ASO4K or their metabolites within the body with time in experiments with rats after i.p. injection. For all compounds the only organs, where radioactivity was detected, were the liver and the kidney. The levels (not quantified) were highest 1 h after application. C10 AS was cleared from tissues more rapidly than C18. After 6 hours, only traces of the C10 salt remained in the kidney, whereas it took 12 hours for the C18 salt to be cleared from the kidney.
- Details on excretion:
- The major path of excretion of the alkyl sulfates is the urine. The data show, that there are only minor differences for the alkyl sulfates of different chain lengths in the overall excretion after i.p. application. There are also no major differences in overall excretion between male and female rats or after oral, intraperitoneal or intravenous application. The rate of excretion in the urine, however, is somewhat different. After oral as well as i.p. application, excretion of the C12 compound is complete within 6 hours after application. In contrast the excretion amounts only to about 60% (C10), 40% (C11), 15% (C18) after i.p. application, and to 25% for C11or C186 hrs after oral application. This indicates faster metabolism of the C12 compound than for the other chain lengths.
Lower amounts of the alkyl sulfates are excreted via the feces within 48 hrs after oral application for the C12, C16and C18 compounds. The lowest value was obtained for the C12, while the highest values with considerable variation of 2.5 - 19.9% (2 m, 2f) were found for C11. In the bile from < 1 to 7.7% (highest amount with C11) of the dose applied was found up to 6 hours after i.v. application, indicating, that the amounts in the feces are mainly due to metabolism and not to unabsorbed compound. In addition the distribution of label in urine and feces from orally administered potassium dodecyl 35S-sulfate (C12A35SO4K) was similar in both antibiotic-treated and untreated rats, indicating that the intestinal flora does not play a significant role in the metabolism of this compound.
Metabolite characterisation studies
- Metabolites identified:
- yes
- Details on metabolites:
- Alkyl sulfates are extensively metabolized in rats, dogs and humans. This was tested with radiolabelled C10, C11, C12, C16 and C18 alkyl sulfates, potassium salts.
The postulated mechanism is degradation involving omega-oxidation, followed by beta-oxidation, to yield metabolites with chain lengths of C2 and C4 for even-chain carbon alkyl sulfates. The major metabolite for even-chained alkyl sulfates was identified as the 4-carbon compound, butyric acid 4-sulfate. The 4-butyrolactone has been found as a minor metabolite which is also formed after application of butyric acid 4-sulfate. Dog and human urine also contained one other minor metabolite, glycolic acid sulfate.
Metabolism of odd numbered chains (specifically, C11) in rats was postulated to follow a similar omega-, beta-degradation pathway: propionic acid-3-sulfate was the major urinary metabolite and pentanoic acid-5-sulfate and inorganic sulfate were minor metabolites.
The C2 fragments enter the C2 pool of the body and are either oxidized to CO2 or found in the body. In addition about 10 to 20% of the dose usually is eliminated as inorganic sulfate.
Any other information on results incl. tables
Table 1: Data availability for toxicokinetics, metabolism and distribution
Compound |
Endpoints investigated |
||||
Test substance |
Counter ion |
Oral absorption
|
Distribution |
Metabolism |
Excretion |
Alkyl sulfates |
|||||
C10ASO4K |
K |
|
|
+ |
+ |
C11ASO4K |
K |
+ |
|
+ |
+ |
C12ASO4K |
K |
|
+ |
+ |
+ |
C12ASO4Na |
Na |
|
|
+ |
+ |
C16ASO4Na |
K |
|
|
+ |
+ |
C16ASO4Na |
Na |
+
|
|
+ |
+ |
C18ASO4Na |
Na |
+
|
+ |
+ |
+ |
Table 2: Metabolites formed from alkyl sulfates with even chain length*
HOOC-CH2-CH2-CH2-OSO3H |
C4-H6-O2 |
HOOC-CH2OSO3H |
butyric acid-4-sulfate |
4-butyrolactone (ring structure) |
Glycolic acid sulfate |
Major Metabolite |
Minor metabolite |
Minor metabolite |
* investigated substances were potassium salts of C10, C12, C14& C18alkyl sulfates
Table 3: Influence of chain length on elimination of alkyl sulfates
Compound |
C10ASO4K |
C11ASO4K |
C12ASO4K |
C18ASO4K |
||||
Number of animals, sex* |
3 m |
3 f |
3 m |
3 f |
6 m |
6 f |
3 m |
3 f |
Recovery from urine at 48 h (% of dose)* |
82.9 |
79.5 |
98.2 |
90.6 |
86.3 |
93.2 |
77.1 |
73.9 |
Recovery from feces at 48 h (% of dose)* |
1.2 |
1.0 |
2.5 |
7.3 |
0.2 |
0.9 |
1.1 |
2.6 |
Recovery from carcass at 48 h (% of dose)* |
8.1 |
4.0 |
1.6 |
27.6 |
0.4 |
0.4 |
9.4 |
15.6 |
* mean number of number of animals indicated, all values are mean values; ** n.a. = not available; 5 mg/kg bw of the35S labeled compounds was applied i.p. to MRC rats
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information): no bioaccumulation potential based on study results
Alkylsulfates have a common metabolic fate that involves hydrolysis of the ether bond between the fatty alcohol and the sulfate chain.
Fatty alcohols, representing the variation in the structure of different alkylsulfates, are oxidized to the corresponding fatty acid and fed into physiological pathways like the citric acid cycle, sugar synthesis and lipid synthesis. The remaining sulfate chain is renal excreted.
Regarding the different anions, it is expected that the salts will be converted to the acid form in the stomach. This means that for all types of parent chemical the same compound structure eventually enter the small intestine. Hence, the situation will be similar for compounds originating from different salts and therefore no differences in uptake are anticipated. - Executive summary:
The toxicokinetic behaviour of alkyl sulfates was assessed. Alkyl sulfates are well absorbed after ingestion. After absorption, these chemicals are distributed mainly to the liver. Alkyl sulfates are metabolized by cytochrome P450-dependent w-oxidation and subsequent beta-oxidation of the aliphatic fatty acids. End products of the oxidation are a C4sulfate and a C3or C5sulfate. In addition, for the alkyl sulfates, sulfate is formed as a metabolite. The metabolites are rapidly excreted in the urine. Due to the low concentrations of the substances in consumer products and the limited uptake after dermal exposure which is the main route for consumers, significant exposure of the developing foetus via the placenta or the neonate via the breast milk is not likely. Therefore a bioaccumulation of alkyl sulfates is not expected.
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.
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