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Diss Factsheets
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EC number: 269-905-8 | CAS number: 68390-58-9
- 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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Endpoint summary
Administrative data
Link to relevant study record(s)
- Endpoint:
- basic toxicokinetics
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Rationale for reliability incl. deficiencies:
- other: No studies are available on the toxicokinetics, metabolism and distribution of WS400145. Predictions were made based on physical-chemical properties and information on metabolism studies with similar substances.
- Reason / purpose for cross-reference:
- read-across: supporting information
- Conclusions:
- Interpretation of results: no bioaccumulation potential
- Executive summary:
The test material, WS400145, is a UVCB substance composed of mono- and diesters of propylene glycol (PG) with tall oil fatty acids. The molecular weight ranges approx. from 335 Da to 605 Da. The water solubility is very low, approx. 0.1 mg/l. The substance is lipophilic with an octanol / water partition coefficient log Pow> 6.
Oral absorption and metabolism
In an acute oral toxicity study in rats no effects were observed at the limit dose of 2000 mg/kg body weight. In a subacute oral toxicity test in rats with reproduction and developmental toxicity screening no effects were observed in parental animals after repeated dosing at 1000 mg/kg body weight/day. Dosing also had no effects on reproduction and developmental endpoints. However, complete absorption of WS400145 after oral dosing is very likely.
Long et al (1958) reported results on absorption and metabolism of propylene glycol distearate in rats. In 1970 a report was published by King et al on the metabolism of stearoyl propylene glycol hydrogen succinate. For both substances in vitro hydrolysis by digestive enzymes, i.e. steapsin and pancreatin, was demonstrated to release fatty acids and PG. In in vivo studies in rats it was confirmed that hydrolysis of the PG esters in the digestive tract is the first step in their degradation. The free fatty acids are absorbed in the digestive tract and metabolised in the same way as fatty acids released from triglycerides. PG was also absorbed and almost completely degraded to CO2in rats.
These metabolism studies demonstrate that mono- and diesters of PG with fatty acids are hydrolysed and metabolised in a manner similar to triglycerides.
Propylene glycol esters of fatty acids are an approved food additive composed of mono- and diesters of saturated and unsaturated fatty acids derived from edible oils and fats (E 477, Regulation (EC) 1333/2008). The fatty acids used in the manufacture of WS400145 are derived from tall oil the composition of which is not significantly different from other (edible) plant oils. Therefore, it is concluded that WS400145 is hydrolysed in the gastrointestinal tract as it was demonstrated for specific PG esters by Long et al and King et al. The fatty acids and PG are then metabolised by known pathways identical to metabolism of the food additive E 477.
Dermal absorption
After topical administration to intact skin, the transfer of WS400145 from the stratum corneum to the lower epidermis and dermis is expected to be very limited due to the high octanol/water partition coefficient [ECHA 2014]. In the in vitro skin irritation and in vivo eye irritation studies no irritation was observed. In the skin sensitization test in mice no irritation was observed at concentrations <25%. At 50% concentration slight thickening of the ear was observed indicating some irrtation.
Absorption by inhalation
Inhalation of any vapour from WS400145 is an unlikely route of human exposure, because the substance has a very low vapour pressure (7 x 10E-4 Pa at 25°C) and decomposes before boiling [ECHA 2014]. Exposure of humans to an inhalable aerosol of WS400145 may be unlikely, because it is a viscous liquid probably limiting its availability as an inhalable aerosol.
References:
ECHA 2014, Chapter R.7c: Endpoint specific guidance.
King W.R., Michael W.R., Coots R.H. (1970): Metabolism of stearoyl propylene glycol hydrogen succinate. Toxicol Appl Pharmacol 17, 519-528.
Long C.L., Domingues F.J., Studer V., Lowry J.R., Zeitlin B.R., Baldwin R.R., Thiessen R (1958): Studies on absorption and metabolism of propylene glycol distearate. Arch Biochem Biophys 77, 428-439.
Regulation (EC) 1333/2008 on food additives.
Reference
Description of key information
Toxicokinetic data on WS400145 are not available. However, studies on metabolism of very similar propylene glycol fatty acid esters were published demonstrating rapid metabolism by hydrolysis of the ester linkages to release free fatty acids and propylene glycol (for read-across justification document see Section 13).
Key value for chemical safety assessment
- Bioaccumulation potential:
- no bioaccumulation potential
Additional information
The test material, WS400145, is a UVCB substance composed of mono- and diesters of propylene glycol (PG) with tall oil fatty acids. The molecular weight ranges approx. from 335 Da to 605 Da. The water solubility is very low, approx. 0.1 mg/l. The substance is lipophilic with an octanol / water partition coefficient log Pow> 6.
Oral absorption and metabolism
In an acute oral toxicity study in rats no effects were observed at the limit dose of 2000 mg/kg body weight. In a subacute oral toxicity test in rats with reproduction and developmental toxicity screening no effects were observed in parental animals after repeated dosing at 1000 mg/kg body weight/day. Dosing also had no effects on reproduction and developmental endpoints. However, complete absorption of WS400145 after oral dosing is very likely.
Long et al (1958) reported results on absorption and metabolism of propylene glycol distearate in rats. In 1970 a report was published by King et al on the metabolism of stearoyl propylene glycol hydrogen succinate. For both substancesin vitrohydrolysis by digestive enzymes, i.e. steapsin and pancreatin, was demonstrated to release fatty acids and PG. Inin vivostudies in rats it was confirmed that hydrolysis of the PG esters in the digestive tract is the first step in their degradation. The free fatty acids are absorbed in the digestive tract and metabolised in the same way as fatty acids released from triglycerides. PG was also absorbed and almost completely degraded to CO2in rats.
These metabolism studies demonstrate that mono- and diesters of PG with fatty acids are hydrolysed and metabolised in a manner similar to triglycerides.
Propylene glycol esters of fatty acids are an approved food additive composed of mono- and diesters of saturated and unsaturated fatty acids derived from edible oils and fats (E 477, Regulation (EC) 1333/2008). The fatty acids used in the manufacture of WS400145 are derived from tall oil the composition of which is not significantly different from other (edible) plant oils. Therefore, it is concluded that WS400145 is hydrolysed in the gastrointestinal tract as it was demonstrated for specific PG esters by Long et al and King et al. The fatty acids and PG are then metabolised by known pathways identical to metabolism of the food additive E 477.
Dermal absorption
After topical administration to intact skin, the transfer of WS400145 from the stratum corneum to the lower epidermis and dermis is expected to be very limited due to the high octanol/water partition coefficient [ECHA 2014]. In the in vitro skin irritation and in vivo eye irritation studies no irritation was observed. In the skin sensitization test in mice no irritation was observed at concentrations<25%. At 50% concentration slight thickening of the ear was observed indicating some irrtation.
Absorption by in halation
Inhalation of any vapour from WS400145 is an unlikely route of human exposure, because the substance has a very low vapour pressure (7 x 10E-4 Pa at 25°C) [ECHA 2014]. Exposure of humans to an inhalable aerosol of WS400145 may be unlikely, because it is a viscous liquid probably limiting its availability as an inhalable aerosol.
References:
ECHA 2014, Chapter R.7c: Endpoint specific guidance.
King W.R., Michael W.R., Coots R.H. (1970): Metabolism of stearoyl propylene glycol hydrogen succinate. Toxicol Appl Pharmacol 17, 519-528.
Long C.L., Domingues F.J., Studer V., Lowry J.R., Zeitlin B.R., Baldwin R.R., Thiessen R (1958): Studies on absorption and metabolism of propylene glycol distearate. Arch Biochem Biophys 77, 428-439.
Regulation (EC) 1333/2008 on food additives.
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.
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