Registration Dossier
Registration Dossier
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EC number: 941-450-6 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
- 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 is from modelling databases
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- KOWWIN V1.68 was used to estimate the octanol water partition coefficient of reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde
- GLP compliance:
- not specified
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Name: Reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde
EC no: 941-450-6
Molecular weight: 152.235 g/mole
Molecular formula: C10H16O
Substance type: organic
Physical state: pale yellow oil - Key result
- Type:
- log Pow
- Partition coefficient:
- 3.307
- Temp.:
- 25 °C
- Remarks on result:
- other: no other details mentioned
- Conclusions:
- The estimated logPOW of reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde was 3.3071 at 25 °C.
- Executive summary:
KOWWIN V1.68 was used to estimate the octanol water partition coefficient of reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde.
The estimated logPOW of the reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde was 3.3071 at 25 °C.
Based on the estimated value, the reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde can be considered hydrophillic/hydrophobic in nature, which is also supported by the water solubility of the given test substance.
Reference
Description of key information
The estimated logPOW of reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde was 3.3071 at 25 °C.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.307
- at the temperature of:
- 25 °C
Additional information
KOWWIN V1.68 was used to estimate the octanol water partition coefficient of reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde.
The estimated logPOW of the reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde was 3.3071 at 25 °C.
Based on the estimated value, the reaction mass of 2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde and 2,6,6-trimethylcyclohexene-1-carbaldehyde can be considered hydrophillic/hydrophobic in nature, which is also supported by the water solubility of the given test substance.
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