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EC number: 405-430-6 | CAS number: 65143-89-7
- 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
To assess the ADME characteristics of DOWFAX™ 8390, QSAR predictions and data from the structurally similar linear alkylbenzene sulfonates (LAS) surfactants were utilized. The pharmacokinetic parameters for LAS from in vivo studies and QSAR predictions indicate substantial oral absorption. QSAR predictions for oral DOWFAX™ 8390 absorption in humans indicated lower absorption compared to LAS. Dermal absorption of DOWFAX™ 8390 and LAS would be negligible, based on QSAR predictions and in vivo LAS data. The ionic nature of the DOWFAX™ 8390 molecules indicates potential interactions with human plasma proteins upon absorption and hence low penetration into human tissues. Based on the metabolism data of LAS, DOWFAX™ 8390 would be expected to be mainly metabolized to 4-[2-sulfo-3-(2-sulfophenoxy)phenyl]pentanoic acid and 3-[2-sulfo-3-(2-sulfophenoxy)phenyl] butanoic acid or their isomers and conjugated with sulfates or glucuronides. Metabolites would be more water-soluble than the parent and would be expected to excrete in urine and feces. DOWFAX™ 8390 is not expected to be bioaccumulative.
QSAR predictions for oral absorption of the two DOWFAX™ 8390 isomers indicate significantly lower absorption in human (< 0.001%).
Key value for chemical safety assessment
- Bioaccumulation potential:
- no bioaccumulation potential
- Absorption rate - oral (%):
- 50
- Absorption rate - dermal (%):
- 5
- Absorption rate - inhalation (%):
- 100
Additional information
To assess the ADME characteristics of DOWFAX™ 8390, QSAR predictions and data from the structurally similar linear alkylbenzene sulfonates (LAS) surfactants were utilized.
The pharmacokinetic parameters for LAS from in vivo studies and QSAR predictions indicate substantial oral absorption. QSAR predictions for oral DOWFAX™ 8390 absorption in humans indicated lower absorption compared to LAS, with predicted values of 0.001% vs. 5%, respectively. Predicted permeability rates of two assessed DOWFAX™ 8390 structural isomers were 0.010 x 10-4and 0.04 x 10-4cm/s through jejunum. The corresponding absorption half-lives (t1/2) are about 192 and 48 hours. The Caco-2 cell permeabilities were estimated to be 0.0 x 10-6 cm/s for both DOWFAXTM8390 isomers. The Log Kow values predicted with EPISUITE 4.1 for DOWFAX™ 8390 isomers were 4.4 and 5.2, wheras for LAS it was 3. Combined with higher MW of DOWFAX™ 8390, the lower oral absorption in humans in predicted compared to LAS.
Dermal absorption of DOWFAX™ 8390 and LAS would be negligible, based on QSAR predictions and in vivo LAS data.
The ionic nature of the DOWFAX™ 8390 indicates potential interactions with human plasma proteins (>99%) upon absorption. The volume of tissue distribution in humans is estimated to be low (0.4 L/kg). Consistent with high plasma protein binding affinity and low volume of tissue distribution, DOWFAX™ 8390 is estimated to have very low penetration into human tissues.
Based on the structural similarity between LAS and DOWFAXTM 8390, the main metabolites would be expected to be 4-[2-sulfo-3-(2-sulfophenoxy)phenyl]pentanoic acid and 3-[2-sulfo-3-(2-sulfophenoxy)phenyl] butanoic acid or their isomers. These metabolites were predicted to be formed by degradation via ω-oxidation, followed by catabolism through a ß-oxidation mechanism. These metabolites would be conjugated with sulfates or glucuronides. Metabolites would be more water-soluble than the parent and would be expected to excrete in urine and feces.
DOWFAX™ 8390 is not expected to bioaccumulate.
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