Registration Dossier

Physical & Chemical properties

Water solubility

Currently viewing:

Administrative data

Link to relevant study record(s)

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 databases
Qualifier:
equivalent or similar to
Guideline:
other: estimated data
Principles of method if other than guideline:
WSKOW v1.42 was used to estimate the water solubility of butyl 12-acetoxyoctadec-9-enoate.
GLP compliance:
not specified
Type of method:
other: estimated data
Specific details on test material used for the study:
- Name of test material (as cited in study report): butyl 12-acetoxyoctadec-9-enoate
- Molecular formula: C24H44O4
- Molecular weight: 396.6076 g/mol
- Smiles notation: CCCCCC[C@H](C\C=C/CCCCCCCC(=O)OCCCC)OC(=O)C
- InChl : 1S/C24H44O4/c1-4-6-8-15-18-23(28-22(3)25)19-16-13-11-9-10-12-14-17-20-24(26)27-21-7-5-2/h13,16,23H,4-12,14-15,17-21H2,1-3H3/b16-13-/t23-/m1/s1
- Substance type: Organic
- Physical state: Liquid
Key result
Water solubility:
0 mg/L
Conc. based on:
test mat.
Temp.:
25 °C
Remarks on result:
other: estimated data
Conclusions:
The estimated water solubility of butyl 12-acetoxyoctadec-9-enoate at 25 deg C was 0.00007219 mg/l
Executive summary:

WSKOW v1.42 was used to estimate the water solubility of butyl 12-acetoxyoctadec-9-enoate. The estimated water solubility of butyl 12-acetoxyoctadec-9-enoate at 25 deg C was 0.00007219 mg/l. This value suggests that 2 butyl 12-acetoxyoctadec-9-enoate is highly insoluble in water.

Description of key information

WSKOW v1.42 was used to estimate the water solubility of butyl 12-acetoxyoctadec-9-enoate. The estimated water solubility of butyl 12-acetoxyoctadec-9-enoate at 25 deg C was 0.00007219 mg/l. This value suggests that 2 butyl 12-acetoxyoctadec-9-enoate is highly insoluble in water.

Key value for chemical safety assessment

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

Additional information

WSKOW v1.42 was used to estimate the water solubility of butyl 12-acetoxyoctadec-9-enoate. The estimated water solubility of butyl 12-acetoxyoctadec-9-enoate at 25 deg C was 0.00007219 mg/l. This value suggests that 2 butyl 12-acetoxyoctadec-9-enoate is highly insoluble in water.