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EC number: 294-268-8 | CAS number: 91697-07-3
- 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)
Description of key information
The toxicokinetics of Butanedioic acid, sulfo-, C-C16-18-alkyl esters, disodium salt was assessed based on the physicochemical parameters. In summary the substance is anticipated to be orally absorbed to a high extent, whereas inhalation or dermal uptake is very unlikely. The substance may be distributed within the organisms but accumulation is unlikely. Hydrolysis will take place at the ester site of the substance causing it to split in a polar and apolar part. Eventually, it is expected that these parts will break down to water, CO2 and sulfur. The major path of excretion seems to be via kidney, although some excretion via the bile is also possible. Literature data are available for anionic surfactants (alkyl sulfates, alkane sulfonates and α-olefin sulfonates ) which have similar breakdown products to sulfosuccinates. For these surfactants high oral absorption rates (90%) and low dermal absorption rates (<1%) were observed. For risk characterisation, conservative absorption rates of 90, 2 and 30% were taken into account for oral, dermal and inhalation routes, respectively.
Key value for chemical safety assessment
- Bioaccumulation potential:
- no bioaccumulation potential
- Absorption rate - oral (%):
- 90
- Absorption rate - dermal (%):
- 2
- Absorption rate - inhalation (%):
- 30
Additional information
The absorption, distribution, metabolism and excretion of Butanedioic acid, sulfo-, C-C16-18-alkyl esters, disodium salt is assessed on the following levels:
1) Based on the physicochemical properties of the compound itself
2) Literature review of other anionic surfactants
Part 1: Physicochemical properties
Absorption of Butanedioic acid, sulfo-, C-C16-18-alkyl esters, disodium salt was assessed as follows based on physicochemical/toxicological data following ECHA guidance 7c (ECHA Guidance on information requirements and chemical safety assessment. Chapter R.7c: Endpoint specific guidance, November 2012 Version 1.1).
The substance is an UVCB consisting of C12-C18 chains with C16 and C18 as predominat fatty chains. The compound is solid powder with a molecular weight between 468 and 496 g/mol and water solubility of 6.44 g/L. The log Pow is around and the vapour pressure is <= 3.2 E-1 Pa. The structure of the substance shows ionisable groups and the substance is assumed to be readily biodegradable.
- Oral/GI absorption:
Based upon the ionisable and hydrophilic properties, oral absorption might be considered to belimited, however the good solubility in GI fluids and the molecular weight below 500 g/mol are factors in favor of oral absorption. Furthermore the observed toxicity in acute oral toxicity studies indicated a systemic availability of the substance underlining an oral absorption. Nevertheless the extent of absorption stays unclear.
- Respiratory absorption:
The respiratory absorption is limited by the amount of inhalable substance and the fraction reaching the lower respiratory system. Due to the large particle size and low vapour pressure inhalation and/or deposition of significant amount of the substance seems unlikely. Additionally, the high hydrophilic properties of the substance may retain the substance in the upper mucosa. As a result the respiratory uptake and absorption is assumed to be limited.
- Dermal absorption:
Due to the molecular weight below 500 g/mol and the water solubility of 6.44 g/L a dermal absorption can be expected. Nevertheless the LogPow around -1 makes it impossible for the substance to cross the lipophilic areas of the stratum corneum. However due to the low vapor pressure a dermally attached substance may stay on the skin for a longtime. No skin irritations were observed for structural analog substances or with in vitro tests performed with the target substance. Therefore a limited dermal absorption is expected from this information.
For the assessment of distribution, metabolism and excretion physicochemical and toxicological properties are taken into account according to ECHA guidance 7c(ECHA Guidance on information requirements and chemical safety assessment. Chapter R.7c: Endpoint specific guidance, November 2012 Version 1.1).
- Metabolism:
Hydrolysis will take place at the ester site of the substance causing it to split in a polar and apolar part. Eventually, it is expected that these parts will break down to water, CO2and sulfur.
- Distribution:
Based on the molecular size of above 400g/mol and the high hydrophilicity a less wide distribution is expected but cannot be excluded. Nevertheless the low LogPow of below 0 indicates that a distribution into cells is less likely. However from the clinical signs observed after oral acute toxicity testing, distribution in the body is expected to take place.
- Accumulation:
Based
on the hydrophilicity and the large diameter of the substance, the
substance is not expected to accumulate in the lung. Based on the low
log Pow the accumulation in adipose tissues is also unlikely as well as
accumulation in the stratum corneum. As the substance is no metal,
accumulation in bones is also not expected. Taken together there is no
direct indication of bioaccumulation potential.
- Excretion:
Derived
from the molecular weight (below 500 g/mol) the high hydrophilicity and
low logPow excretion in the urine is expected to be the favourable
route. Nevertheless also excretion via bile is
expected to occur after oral absorption but in less amounts than via
urine. As the substance has a low vapour pressure , exhalation is not
expected. Nevertheless the cleavage products of the substance may be
included in the energy cycle and exhalation as CO2may be
possible.
Part 2: Literature review of anionic surfactants (alkyl sulfates, alkane sulfonates and α-olefin sulfonates)
Anionic surfactants, including alkyl sulfates and alkane sulfonates and α-olefin sulfonates, have been assessed under the HPV program. These chemical were shown to have low acute and repeated dose toxicity, no evidence of genetic or reproductive toxicity or carcinogenicity. The toxicological profile was similar to the sulfosuccinate esters/amides, and the absorption rate was high in both situations (90% absorption was demonstrated for a sulfosuccinate ester). Therefore, the toxicokinetic profile of the anionic surfactants can also be used for the sulfosuccinate esters and amides, with special emphasis on the low dermal absorption rate (<1%) and the common metabolic breakdown after oral absorption. The common physiological pathways result in structurally similar breakdown products (fragments) for the various chain lengths, leading to fairly rapid excretion and low hazard for human health.
References:
- Wibbertmann et al., Ecotoxicology and Environmental Safety 74 (2011) 1089-1106, Toxicological properties and risk assessment of the anionic surfactants category: alkyl sulfates, primary alkane sulfonates and α-olefin sulfonates.
- SIDS Initial Assessment Report for SIAM 25, Category of Alkyl sulfates, Alkane sulfonates and α-Olefin sulfonates, 2007
- Howes, D., J. Soc. Cosmet. Chem. 26 (1975) 47-63, The percutaneous absorption of some anionic surfactants.
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