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Partition coefficient

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Reference
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.

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

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.

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