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EC number: 611-025-7 | CAS number: 53651-69-7
- 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
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Test method is not further specified in the publication.
- GLP compliance:
- not specified
- Type of method:
- other: Handbook data or collection of data.
- Specific details on test material used for the study:
- not specified
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.51
- Remarks on result:
- other: Temperature and pH were not reported in this publication.
- Conclusions:
- The log Pow of Proply (S)-lactate is reported to be 0.51.
- Executive summary:
According to published data the log Pow of Propyl (S)-lactate is 0.51.
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 2022-12-14
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- Please refer to QPRF/QMRF documentation for detailed information on model suitability.
- Qualifier:
- according to guideline
- Guideline:
- other: Guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals
- Version / remarks:
- May 2008
- Principles of method if other than guideline:
- QSAR prediction using KOWWIN v1.68 of EpiSuite v4.1. QSAR calculation is based on the fragment constant methodology.
- GLP compliance:
- no
- Type of method:
- other: QSAR calculation.
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- SMILES: CCCOC(=O)C(C)O (canonical)
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.31
- Temp.:
- 20 °C
- Remarks on result:
- other: pH not available in QSAR prediction.
- Details on results:
- see QPRF/QMRF
- Conclusions:
- The estimated log Pow = 0.31 for Propyl (S)-lactate is very low and suggests hydrophilic properties associated with only a minor potential for adsorption and bioaccumulation.
- Executive summary:
For the determination of the log Pow of Propyl (S)-lactate, KOWWIN model version 1.68 has been applied. Based on the calculated log Pow value of 0.31 it can be inferred that Propyl (S)-lactate has only a minor potential for adsorption and bioaccumulation.
Referenceopen allclose all
Description of key information
In a weight-of-evidence approach the partition coefficient of Propyl (S)-lactate is assessed to be within the range of 0.31 and 0.51. Therefore the log Pow of 0.51 is used as worst-case value.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.51
- at the temperature of:
- 20 °C
Additional information
In a weight-of-evidence approach the partition coefficient of Propyl (S)-lactate is assessed to be within the range of 0.31 and 0.51.
According to the study from Clary et al. (1998), the log Pow of Propyl (S)-lactate is 0.51.
Supportingly, a QSAR calculation using the software model KOWWIN (EpiSuite) has been conducted, resulting in a log Pow value of 0.31. Propyl (S)-lactate is within the applicability domain of the model and the result is considered adequate for a regulatory purpose.
In conclusion, adopting a worst-case approach, the highest reported partition coefficient of log Pow = 0.51 is selected as the key value for chemical safety assessment. The weight of evidence indicates that this value is fully appropriate for risk assessment and the chosen log Pow = 0.51 suggests hydrophilic properties associated with insignificant potential for adsorption and bioaccumulation.
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