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EC number: 944-968-0 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2013-11-04 - 2013-11-06
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Bartch No. 009565072
- Type:
- log Pow
- Partition coefficient:
- 5.2
- Remarks on result:
- other: no value given for Temp. and pH
- Conclusions:
- Log Kow = 5.2
- Executive summary:
The partition coefficient of the test item N,N-dimethyldodecanamide was determined to according to OECD TG 117. The Log Kow = 5.2
- Endpoint:
- partition coefficient
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Study period:
- 2013-11-04 - 2013-11-06
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- REPORTING FORMAT FOR THE ANALOGUE APPROACH
1. HYPOTHESIS FOR THE ANALOGUE APPROACH
The chemical characterisation and physico-chemical properties of the source and target substances support read-across between the substance for physico-chemical endpoints.
2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
Source: N,N-dimethyldodecanamide [EC 221-117-5; CAS 3007-53-2].
Target: Reaction mass of N,N-dimethyldodecanamide and N,N-dimethyltetradecanamide [EC not assigned; CAS not assigned]. Details of composition provided in section 1.2.
3. ANALOGUE APPROACH JUSTIFICATION
The source substance constitutes 65-80%w/w of the target substance. The other main constituent (20-35%) has identical functional groups and an additional two carbons in the alkyl chain. The similarity of the measured water solubility of log Kow for the source substance and the measured water solubility and estimated log Kow for the target substance supports the use of the source log Kow for risk assessment.
4. DATA MATRIX
Source: Water solubility = 28.08 mg/L (OECD TG 105); Log Kow = 5.2 (OECD TG 117)
Target: Water solubility = 43.61 mg/L (EU Method A.6); Log Kow >4.6 (estimate from solubility in n-octanol and water) - Reason / purpose for cross-reference:
- read-across source
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- GLP compliance:
- yes
- Type:
- log Pow
- Partition coefficient:
- 5.2
- Remarks on result:
- other: no value given for Temp. and pH
- Endpoint:
- partition coefficient
- Type of information:
- other: Estimation from solubility ratio in n-octanol and water
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Reason / purpose for cross-reference:
- reference to other study
- Reason / purpose for cross-reference:
- reference to other study
- Principles of method if other than guideline:
- Log Kow was estimated from the solubility of the substance in n-octanol and in water.
- GLP compliance:
- no
- Type of method:
- estimation method (solubility ratio)
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- > 4.6
- Temp.:
- 20 °C
- Details on results:
- The log Kow of the test item was estimated as the log of the solubility in n-octanol (> 2kg/L) divided by the solubility in water (43.6 mg/L). This resulted in a value of log Kow > 4.6.
Referenceopen allclose all
Description of key information
Log Kow >4.6 (estimated from solubility in n-octanol and in water).
Log Kow N,N-dimethyldodecanamide = 5.2 (OECD TG 117)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 5.2
- at the temperature of:
- 20 °C
Additional information
The log Kow of the test item was estimated as the log of the solubility in n-octanol (> 2kg/L) divided by the solubility in water (43.6 mg/L). This resulted in a value of log Kow > 4.6.
The log Kow of the major constituent of the substance, N,N-dimethyldodecanamide, was determined according to OECD TG 117. The Kow was 5.2.
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