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EC number: 211-779-3 | CAS number: 695-12-5
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:
- 2017-05-11 to 2017-05-26
- 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)
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Name: Vinylcyclohexan
CAS No.: 695-12-5
Batch No.: VCH/7/17K1
Purity: 99.8 % (GC)
Description: clear liquid - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 5.01
- Temp.:
- 20 °C
- Remarks on result:
- other: pH not reported.
- Details on results:
- Results:
For all analytes the RID signals were evaluated except for DDT. Therefore, the retention time of the DAD signal for DDT was corrected by the retention time difference between the DAD and RID. The measured retention times tR and the capacity factors k, given by the following expression [k = (tR - t0,mean)/ t0,mean], of the reference substances are shown below:
Name log Pow tR mean tR RSD k mean K RSD log k
(lit.) (n=6) [min] [%] (n=6) [-] [%] [-]
Formamide - 0,56 0,10 - - -
Benzene 2,1 1,11 0,12 0,96 0,25 -0,02
Toluene 2,7 1,51 0,15 1,68 0,24 0,23
Ethylbenzene 3,2 2,06 0,18 2,64 0,25 0,42
Isopropylbenzene 3,7 2,75 0,20 3,88 0,25 0,59
1,2,4-Trichlorbenzene 4,2 3,37 0,19 4,98 0,23 0,70
DDT 6,5 13,42 0,57 22,77 0,59 1,36 - Conclusions:
- The log Pow of the test item vinylcyclohexane (CAS 695-12-5) is 5.
- Executive summary:
The determination of the partition coefficient (n-octanol/water) of the test item vinylcyclohexane was conducted via HPLC-DAD/RID according to OECD117. The log Pow is 5.
Reference
Sample no. 3612/17 was analysed in triplicate and resulted a mean log P ow value of 5.0 ± 0.01 (Table below). This value is within the range of the used reference substances and was interpolated by linear regression.
RUN |
tR |
k |
log k |
log Pow |
# |
[min] |
[-] |
[-] |
[-] |
1 |
5,43 |
8,63 |
0,94 |
5,00 |
2 |
5,48 |
8,71 |
0,94 |
5,01 |
3 |
5,45 |
8,66 |
0,94 |
5,01 |
Mean |
5,46 |
8,67 |
0,94 |
5,01 |
SD |
0,02 |
0,04 |
0,002 |
0,007 |
RSD [%] |
0,41 |
0,46 |
0,21 |
0,13 |
Description of key information
The determination of the partition coefficient (n-octanol/water) of the test item vinylcyclohexane was conducted via HPLC-DAD/RID according to OECD117. The log Pow is 5.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 5
- at the temperature of:
- 20 °C
Additional information
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