Registration Dossier

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
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 isfrom modelling databases.
Reference:
Composition 0
Composition 0
Composition 0
Composition 0
Qualifier:
according to
Guideline:
other: refer principle below
Principles of method if other than guideline:
To estimate Octanol water partition coefficent of chemical (5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one
GLP compliance:
not specified
Type of method:
other: estimation
Partition coefficient type:
octanol-water
Test material information:
Composition 1
Specific details on test material used for the study:
- Name of test material: d-Carvone- IUPAC name: (5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one- Molecular formula: C10H14O- Molecular weight: 150.22 g/mole- Smiles :C1[C@H](CC=C(C1=O)C)C(C)=C- Inchl: 1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1- Substance type: Organic- Physical state: Colorless to pale-yellow liquid
Key result
Type:
log Pow
Partition coefficient:
3.07
Temp.:
25 °C
Remarks on result:
other: other details not available
Conclusions:
The estimated log Pow of target chemical (5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one is 3.07 dimensionless by this value this chemical is considered as hydrophilic in nature.
Executive summary:

Octanol water partition coefficient of the (5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one (CAS no.2244 -16 -8) was estimated. The estimated log POW of the (5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one was 3.07 dimesionless. On the basis of estimated value, the (5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one can be considered as hydrophilic in nature.

Description of key information

Octanol water partition coefficient of the (5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one (CAS no.2244 -16 -8) was estimated. The estimated log POW of the (5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one was 3.07 dimesionless. On the basis of estimated value, the (5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one can be considered as hydrophilic in nature.

Key value for chemical safety assessment

Log Kow (Log Pow):
3.07
at the temperature of:
25 °C

Additional information

Octanol water partition coefficient of the (5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one (CAS no.2244 -16 -8) was estimated. The estimated log POW of the (5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one was 3.07 dimesionless. On the basis of estimated value, the (5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one can be considered as hydrophilic in nature.