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Physical & Chemical properties

Water solubility

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Reference
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
Reference:
Composition 1
Composition 2
Composition 3
Qualifier:
according to
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
Test material information:
Composition 1
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.

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.