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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 moedlling databases
Reference:
Composition 1
Composition 2
Composition 3
Qualifier:
equivalent or similar to
Guideline:
other: estimated data
Principles of method if other than guideline:
To estimate the water solubility of Geranyl isobutyrate
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 test material: 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate
- Common Name: Geranyl isobutyrate
- Molecular formula: C14H24O2
- Molecular weight: 224.342 g/mol
- Smiles notation: C(OC\C=C(\CC\C=C(/C)C)C)(C(C)C)=O
- InChl: 1S/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9,12H,6,8,10H2,1-5H3/b13-9+
- Substance type: Organic
- Physical state: Liquid
Key result
Water solubility:
0.824 mg/L
Conc. based on:
test mat.
Temp.:
25 °C
Remarks on result:
other: estimated data
Conclusions:
The estimated water solubility of Geranyl isobutyrate at 25 deg C was determined as 0.824 mg/l . Based on this value, Geranyl isobutyrate can be considered to be insoluble in water.
Executive summary:

Data from various databases suggests that the estimated water solubility of Geranyl isobutyrate at 25 deg C was determined as 0.824 mg/l. This value suggests that Geranyl isobutyrate is insoluble in water.

Description of key information

Data from various databases suggests that the estimated water solubility of Geranyl isobutyrate at 25 deg C was determined as 0.824 mg/l. This value suggests that Geranyl isobutyrate is insoluble in water.

Key value for chemical safety assessment

Water solubility:
0.824 mg/L
at the temperature of:
25 °C

Additional information

Data from various databases suggests that the estimated water solubility of Geranyl isobutyrate at 25 deg C was determined as 0.824 mg/l. This value suggests that Geranyl isobutyrate is insoluble in water.