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EC number: 202-795-1 | CAS number: 99-86-5
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:
- August 2004 - December 2004
- 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)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Commercial name: Terpinene Alpha
Givaudan Code: 9202001
Chemical Nature: 1-methyl-4-(1-methylethyl)-1,3-cyclohexadiene
Empirical Formula: C10H16
Molecular Weight: 136.2 g/mol
Lot No.: 9000556467
Purity: 94.2%
Expiration Date: 2006-01-26 - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 5.3
- Temp.:
- 35 °C
- Remarks on result:
- other: pH not determined
- Remarks:
- pH not determined
- Details on results:
- The chromatogram of the test substance showed one peak at retention time 18.135 corresponding to a log Pow of 5.3.
- Conclusions:
- The chromatogram shows one peak at retention time 18.135 minutes, corresponding to partition coefficient (log value) of 5.3. In addition, the partition co-efficient estimated with KOWWIN software is 4.75.
- Executive summary:
The partition coefficient of alpha-Terpinene was determined following the OECD TG 117. The log Pow of alpha-Terpinene was determined to be 5.3.
Reference
Table 2. Results of chromatogram of test Substance:
| Terpinene Alpha | tR1 | tR2 | tRm | k | log k | log Pow |
| 18.132 | 18.138 | 18.135 | 9.5467 | 0.9799 | 5.3 |
tR1, tR2, tRm: retention times (1st measurement, 2nd measurement, average)
k=(tR/t0)-1: capacity factor, where t0: dead time i.e. retention time of thio urea.
The linear regression parameters calculated from the reference substances were: correlation coefficient r = 0.9968, a = 3.3791, b = 1.9681.
log Pow = a * log k + b
Description of key information
Key study: Test method according to OECD 117, GLP study. The log Pow of alpha-Terpinene was determined to be 5.3.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 5.3
- at the temperature of:
- 35 °C
Additional information
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