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EC number: 231-308-5 | CAS number: 7491-09-0
- 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
Toxicological Summary
- Administrative data
- Workers - Hazard via inhalation route
- Workers - Hazard via dermal route
- Workers - Hazard for the eyes
- Additional information - workers
- General Population - Hazard via inhalation route
- General Population - Hazard via dermal route
- General Population - Hazard via oral route
- General Population - Hazard for the eyes
- Additional information - General Population
Administrative data
Workers - Hazard via inhalation route
Systemic effects
Long term exposure
- Hazard assessment conclusion:
- DNEL (Derived No Effect Level)
- Value:
- 98.7 mg/m³
- Most sensitive endpoint:
- repeated dose toxicity
- Route of original study:
- Oral
DNEL related information
- DNEL derivation method:
- ECHA REACH Guidance
- Overall assessment factor (AF):
- 25
- Modified dose descriptor starting point:
- NOAEC
- Value:
- 2 468.4 mg/m³
- Explanation for the modification of the dose descriptor starting point:
ECHA guidance recommends that a factor of 2 be applied when doing route to route extrapolation for oral to inhalation exposure, recognizing higher absorption via the lungs. However in this case we have toxicokinetic data showing greater than 90% excretion by both the oral and intravenous routes. This indicates that oral absorption was ca. 100%. Therefore a factor of 1 was applied (see discussion) as inhalation exposure cannot be higher. Allometric scaling is applied by taking account for the different breathing rates between rats and humans, as described in ECHA technical guidance the oral NOAEL in the rat mg/kg/day *1/0.38 * 6.7/10 = mg/m3 inhalation NOAEC for workers. An additional adjust was made as recommended in ECHA guidance R8.4.3. The oral exposure for the rats was 7 days a week but inhalation exposure of workers is considered to be 5 days a week. This is adjusted by dividing the NOEC by 5/7 or 0.714286.
- AF for dose response relationship:
- 1
- Justification:
- No adverse systemic effects were seen at the limit dose of 1000mg/kg used as the oral NOAEL so a factor of 1 used.
- AF for differences in duration of exposure:
- 2
- Justification:
- ECHA guidance document Chapter R8, in Appendix R.8-12, indicates that DNELS derived using a NOAEL from a 90 day study are derived using an assessment factor of 2 for extrapolation of the study duration to chronic exposure. As the NOAEL is from a 90 day study the factor of 2 was used.
- AF for interspecies differences (allometric scaling):
- 1
- Justification:
- Allometric scaling is already included in the route to route extrapolation from the rat oral NOAEL to the equivalent human inhalation NOAEC.
- AF for other interspecies differences:
- 2.5
- Justification:
- ECHA guidance recommends an additional factor of 2.5 for other interspecies differences, therefore a factor of 2.5 has been applied.
- AF for intraspecies differences:
- 5
- Justification:
- ECHA guidance recommends a factor of 5 for intraspecies differences for workers
- AF for the quality of the whole database:
- 1
- Justification:
- While the DNEL is based on a read across substance as the only difference is the sodium rather than the potassium salt both will be dissociated in the physiological environment. Therefore a factor of 1 was used.
- AF for remaining uncertainties:
- 1
- Justification:
- All uncertainties are already included so a factor of 1 is applied.
Acute/short term exposure
- Hazard assessment conclusion:
- low hazard (no threshold derived)
DNEL related information
Local effects
Long term exposure
- Hazard assessment conclusion:
- low hazard (no threshold derived)
Acute/short term exposure
- Hazard assessment conclusion:
- low hazard (no threshold derived)
DNEL related information
Workers - Hazard via dermal route
Systemic effects
Long term exposure
- Hazard assessment conclusion:
- DNEL (Derived No Effect Level)
- Value:
- 10 mg/kg bw/day
- Most sensitive endpoint:
- repeated dose toxicity
- Route of original study:
- Oral
DNEL related information
- DNEL derivation method:
- ECHA REACH Guidance
- Overall assessment factor (AF):
- 100
- Dose descriptor starting point:
- NOAEL
- Value:
- 1 000 mg/kg bw/day
- Explanation for the modification of the dose descriptor starting point:
ECHA guidance assumes that absorption for dermal exposure is the same as for oral exposure, which is a worst case assumption.
- AF for dose response relationship:
- 1
- Justification:
- No adverse effects were seen at the limit dose of 750mg/kg so a factor of 1 used.
- AF for differences in duration of exposure:
- 2
- Justification:
- ECHA guidance document Chapter R8, in Appendix R.8-12, indicates that DNELS derived using a NOAEL from a 90 day study are derived using an assessment factor of 2 for extrapolation of the study duration to chronic exposure. As the NOAEL is from a 90 day study the factor of 2 was used.
- AF for interspecies differences (allometric scaling):
- 4
- Justification:
- ECHA guidance recommends as factor of 4 for Allometric scaling from effects in the rat to humans, to compensate for the different metabolic rates.
- AF for other interspecies differences:
- 2.5
- Justification:
- ECHA guidance recommends an additional factor of 2.5 for other interspecies differences, therefore a factor of 2.5 has been applied.
- AF for intraspecies differences:
- 5
- Justification:
- ECHA guidance recommends a factor of 5 for intraspecies differences for workers.
- AF for the quality of the whole database:
- 1
- Justification:
- While the DNEL is based on a read across substance as the only difference is the sodium rather than the potassium salt both will be dissociated in the physiological environment. Therefore a factor of 1 was used.
- AF for remaining uncertainties:
- 1
- Justification:
- All uncertainties are already included so a factor of 1 is applied.
Acute/short term exposure
- Hazard assessment conclusion:
- low hazard (no threshold derived)
DNEL related information
Local effects
Long term exposure
- Hazard assessment conclusion:
- low hazard (no threshold derived)
Acute/short term exposure
- Hazard assessment conclusion:
- low hazard (no threshold derived)
Workers - Hazard for the eyes
Local effects
- Hazard assessment conclusion:
- medium hazard (no threshold derived)
Additional information - workers
No data are available for the registered substance, however data are available for the corresponding sodium salt of the substance, docusate sodium (Butanedioic acid, sulfo-, 1,1-bis(2-ethylhexyl) ester sodium salt CAS No 577-11-7). These data are used for read-across to the registered substance Potassium 1,2-bis(2-ethylhexyloxycarbonyl)ethanesulphonate CAS No 7491-09-0. The substance has a pKa of 0.18 which means that it will be completely dissociated in water solutions. The presence of either of the counterions sodium or potassium is not considered to have an impact on the toxicity. It is therefore considered justified to use the data of the sodium salt for read across to the Potassium salt of 1,2-bis(2-ethylhexyloxycarbonyl) ethanesulphonate.
The point of departure for deriving the DNELs is the NOAEL from the 90 day rat study of 1000 mg/kg bwt/day for the read across substance docusate sodium CAS No 577-11-7. This study is new study fully compliant with the OECD Guideline and GLP. The lack of systemic toxic effects at the 1000 mg/kg bwt/day upper limit dose is consistent with other information on related anionic surfactants
There is toxicokinetic data for docusate sodium in rats which compared oral and intra-venous injection of radio labelled docusate sodium and the relevant excretion of the radioacticity. Each route of administration resulted in the excretion of over 90% of the reactivity in the urine. This indicates that there is a very high oral absorption of more than 90%. (Cytec, Kelly 1973). Due to the equivalent level of absorption indicated by the oral and intra venous routes, the oral absorption can be considered to be ca. 100%.
When extrapolating the long term inhalation DNEL from the oral NOAEL data, ECHA guidance chapter R.8: Characteristics of dose [concentration]-response for human health ECHA (2012) makes an assumption of 50% absorption by the oral route and 100% absorption by the inhalation route. This results in the oral NOAEL being halved prior to conversion to a rat NOAEC and then to the corresponding DNEL values for workers and the general population. As docusate sodium is absorbed greater than 90% by the oral route there is no justification for applying the defaults factor of 2 when deriving the inhalation DNELs from the oral NOAEL as there cannot be any significantly higher absorption by the inhalation route. This is considered to be a sufficient substance specific justification for this adaptation of the default factor of 2 to a factor of 1.
All other assessment factors used are those recommended by the ECHA guidance reference above.
ECHA, 2012 Guidance on information requirements and chemical safety assessment. Chapter R.8 Characterisation of dose [concentration]-response for human health.
General Population - Hazard via inhalation route
Systemic effects
Long term exposure
- Hazard assessment conclusion:
- DNEL (Derived No Effect Level)
- Value:
- 14.8 mg/m³
- Most sensitive endpoint:
- repeated dose toxicity
- Route of original study:
- Oral
DNEL related information
- DNEL derivation method:
- other: ECHA REACH guidance with substance specific modification
- Overall assessment factor (AF):
- 50
- Dose descriptor starting point:
- NOAEL
- Value:
- 1 000 mg/kg bw/day
- Modified dose descriptor starting point:
- NOAEC
- Value:
- 740.74 mg/m³
- Explanation for the modification of the dose descriptor starting point:
ECHA guidance recommends that a factor of 2 be applied when doing route to route extrapolation for oral to inhalation exposure, recognizing higher absorption via the lungs. However in this case we have toxicokinetic data, which shows >90% excretion, by both the oral and intravenous routes. This indicates that oral absorption was ca. 100%. Therefore a factor of 1 was applied (see discussion) as inhalation exposure cannot be higher. Allometric scaling is applied by taking account for the different breathing rates between rats and humans, as described in IUCLID Calculator the oral NOAEL in the rat mg/kg/day *1/1.35 mg/m3 inhalation NOAEC for the general population (based on 60 kg bodyweight rather than 70 kg for workers).
- AF for dose response relationship:
- 1
- Justification:
- No adverse effects were seen at the limit dose of 750mg/kg used as the oral NOAEL so a factor of 1 used.
- AF for differences in duration of exposure:
- 2
- Justification:
- ECHA guidance document Chapter R8, in Appendix R.8-12, indicates that DNELS derived using a NOAEL from a 90 day study are derived using an assessment factor of 2 for extrapolation of the study duration to chronic exposure. As the NOAEL is from a 90 day study the factor of 2 was used.
- AF for interspecies differences (allometric scaling):
- 1
- Justification:
- Allometric scaling is already included in the route to route extrapolation from the rat oral NOAEL to the equivalent human inhalation NOAEC.
- AF for other interspecies differences:
- 2.5
- Justification:
- ECHA guidance recommends an additional factor of 2.5 for other interspecies differences, therefore a factor of 2.5 has been applied.
- AF for intraspecies differences:
- 10
- Justification:
- ECHA guidance recommends a factor of 10 for intraspecies differences for the general population.
- AF for the quality of the whole database:
- 1
- Justification:
- While the DNEL is based on a read across substance as the only difference is the sodium rather than the potassium salt both will be dissociated in the physiological environment. Therefore a factor of 1 was used.
- AF for remaining uncertainties:
- 1
- Justification:
- All uncertainties are already included so a factor of 1 is applied.
Acute/short term exposure
- Hazard assessment conclusion:
- low hazard (no threshold derived)
DNEL related information
Local effects
Long term exposure
- Hazard assessment conclusion:
- low hazard (no threshold derived)
Acute/short term exposure
- Hazard assessment conclusion:
- low hazard (no threshold derived)
DNEL related information
General Population - Hazard via dermal route
Systemic effects
Long term exposure
- Hazard assessment conclusion:
- DNEL (Derived No Effect Level)
- Value:
- 5 mg/kg bw/day
- Most sensitive endpoint:
- repeated dose toxicity
- Route of original study:
- Oral
DNEL related information
- DNEL derivation method:
- ECHA REACH Guidance
- Overall assessment factor (AF):
- 200
- Modified dose descriptor starting point:
- NOAEL
- Value:
- 1 000 mg/kg bw/day
- Explanation for the modification of the dose descriptor starting point:
ECHA guidance assumes that absorption for dermal exposure is the same as for oral exposure, which is a worst case assumption.
- AF for dose response relationship:
- 1
- Justification:
- No adverse effects were seen at the limit dose of 750mg/kg used as the oral NOAEL so a factor of 1 used.
- AF for differences in duration of exposure:
- 2
- Justification:
- ECHA guidance document Chapter R8, in Appendix R.8-12, indicates that DNELS derived using a NOAEL from a 90 day study are derived using an assessment factor of 2 for extrapolation of the study duration to chronic exposure. As the NOAEL is from a 90 day study the factor of 2 was used
- AF for interspecies differences (allometric scaling):
- 4
- Justification:
- ECHA guidance recommends as factor of 4 for Allometric scaling from effects in the rat to humans, to compensate for the different metabolic rates.
- AF for other interspecies differences:
- 2.5
- Justification:
- ECHA guidance recommends an additional factor of 2.5 for other interspecies differences, therefore a factor of 2.5 has been applied..
- AF for intraspecies differences:
- 10
- Justification:
- ECHA guidance recommends a factor of 10 for intraspecies differences for the general population
- AF for the quality of the whole database:
- 1
- Justification:
- While the DNEL is based on a read across substance as the only difference is the sodium rather than the potassium salt both will be dissociated in the physiological environment. Therefore a factor of 1 was used.
- AF for remaining uncertainties:
- 1
- Justification:
- All uncertainties are already included so a factor of 1 is applied.
Acute/short term exposure
- Hazard assessment conclusion:
- low hazard (no threshold derived)
DNEL related information
Local effects
Long term exposure
- Hazard assessment conclusion:
- low hazard (no threshold derived)
Acute/short term exposure
- Hazard assessment conclusion:
- low hazard (no threshold derived)
General Population - Hazard via oral route
Systemic effects
Long term exposure
- Hazard assessment conclusion:
- DNEL (Derived No Effect Level)
- Value:
- 5 mg/kg bw/day
- Most sensitive endpoint:
- repeated dose toxicity
- Route of original study:
- Oral
DNEL related information
- DNEL derivation method:
- ECHA REACH Guidance
- Overall assessment factor (AF):
- 200
- Dose descriptor starting point:
- NOAEL
- Value:
- 1 000 mg/kg bw/day
- Explanation for the modification of the dose descriptor starting point:
There is no route to route extrapolation as the NOAEL is from an oral study in rats so no modification of the dose descriptior.
- AF for dose response relationship:
- 1
- Justification:
- No adverse effects were seen at the limit dose of 750mg/kg used as the NOAEL so a factor of 1 used.
- AF for differences in duration of exposure:
- 2
- Justification:
- ECHA guidance document Chapter R8, in Appendix R.8-12, indicates that DNELS derived using a NOAEL from a 90 day study are derived using an assessment factor of 2 for extrapolation of the study duration to chronic exposure. As the NOAEL is from a 90 day study the factor of 2 was used.
- AF for interspecies differences (allometric scaling):
- 4
- Justification:
- ECHA guidance recommends as factor of 4 for Allometric scaling from effects in the rat to humans, to compensate for the different metabolic rates.
- AF for other interspecies differences:
- 2.5
- Justification:
- ECHA guidance recommends an additional factor of 2.5 for other interspecies differences, therefore a factor of 2.5 has been applied.
- AF for intraspecies differences:
- 10
- Justification:
- ECHA guidance recommends a factor of 10 for intraspecies differences for the general population.
- AF for the quality of the whole database:
- 1
- Justification:
- While the DNEL is based on a read across substance as the only difference is the sodium rather than the potassium salt both will be dissociated in the physiological environment. Therefore a factor of 1 was used.
- AF for remaining uncertainties:
- 1
- Justification:
- All uncertainties are already included so a factor of 1 is applied.
Acute/short term exposure
- Hazard assessment conclusion:
- low hazard (no threshold derived)
DNEL related information
General Population - Hazard for the eyes
Local effects
- Hazard assessment conclusion:
- medium hazard (no threshold derived)
Additional information - General Population
ECHA guidance recommends that a factor of 2 be applied when doing route to route extrapolation for oral to inhalation exposure, recognizing higher absorption via the lungs. However in this case we have toxicokinetic data showing >90% excretion by both the oral and intravenous routes. The equivalent excretion indicates equivalent availability/absorption for oral and intra venous routes. This indicates that oral absorption was ca. 100%. Therefore a factor of 1 was applied (see discussion) as inhalation exposure cannot be higher. Allometric scaling is applied by taking account for the different breathing rates between rats and humans, as described in ECHA technical guidance the oral NOAEL in the rat mg/kg/day *1/1.35 = mg/m3for a 60 kg member of the general population as include in the IUCLID calculator.
The point of departure for deriving the DNELs is the NOAEL from the 90 day rat study of 1000 mg/kg bwt/day for the read across substance docusate sodium CAS No 577-11-7. This study is new study fully compliant with the OECD Guideline and GLP. The lack of systemic toxic effects at the 1000 mg/kg bwt/day upper limit dose is consistent with other information on related anionic surfactants.
All other assessment factors used are those recommended by the ECHA guidance reference above.
ECHA, 2012 Guidance on information requirements and chemical safety assessment. Chapter R.8 Characterisation of dose [concentration]-response for human health.
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.