Registration Dossier
Registration Dossier
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EC number: 203-014-7 | CAS number: 102-22-7
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- data is from modelling database
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- WSKOW v1.42 was used to estimate the water solubility of substance Geranyl phenylacetate
- GLP compliance:
- not specified
- Type of method:
- other: estimated data
- Specific details on test material used for the study:
- Name of the test chemical: (2E)-3,7-dimethylocta-2,6-dien-1-yl 2-phenylacetate/ Geranyl phenylacetate
Molecular formula: C18H24O2
Molecular weight: 272.3856 g/mol
Smiles Notation: c1(CC(OC\C=C(\CC\C=C(\C)C)C)=O)ccccc1
InChI: 1S/C18H24O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,8,10-12H,7,9,13-14H2,1-3H3/b16-12+
Substance Type: Organic
Physical State: Liquid (Colorless) - Key result
- Water solubility:
- 0.093 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 25 °C
- Remarks on result:
- other: no other details mentioned
- Conclusions:
- The estimated water solubility of substance Geranyl phenylacetate at 25 deg C was 0.0928 mg/L
- Executive summary:
WSKOW v1.42 was used to estimate the water solubility of the substance Geranyl phenylacetate.
The estimated water solubility of the substance Geranyl phenylacetate at 25 deg C was 0.0928 mg/l.
Based on the estimated value, the substance Geranyl phenylacetate was insoluble in water.
Reference
Description of key information
The estimated water solubility of substance Geranyl phenylacetate at 25 deg C was 0.0928 mg/L.
Key value for chemical safety assessment
- Water solubility:
- 0.093 mg/L
- at the temperature of:
- 25 °C
Additional information
WSKOW v1.42 was used to estimate the water solubility of the substance Geranyl phenylacetate.
The estimated water solubility of the substance Geranyl phenylacetate at 25 deg C was 0.0928 mg/l.
Based on the estimated value, the substance Geranyl phenylacetate was insoluble in water.
Other supporting study from handbook also supported that the substance Geranyl phenylacetate was determined to be insoluble in water.
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