Registration Dossier
Registration Dossier
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EC number: 217-886-1 | CAS number: 1999-85-5
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:
- March 1-11,2011
- 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:
- not specified
- GLP compliance:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 1.6
- Temp.:
- 20 °C
- pH:
- 6
- Details on results:
- No data.
- Conclusions:
- The partition coefficient log Pow of α,α,α',α'-tetramethyl-m-xylene-α,α'-diol is 1.6.
- Executive summary:
Very well documented study according to OECD guideline.
The partition coefficient log Pow of α,α,α',α'-tetramethyl-m-xylene-α,α'-diol is 1.6.
Reference
The linear relation of logPow and logk
The logPow values of each standards can be obtained from OECD 117 Partition Coefficient (n-octanoll water), HPLC method.
The determination results of linearity
No |
standards |
logPow |
Retention time/min |
Average value of retention time/min |
Capacity Factork |
logk |
1 |
Formamide |
/ |
2.265 |
2.262 |
0 |
/ |
2.258 |
||||||
2 |
Aniline |
0.9 |
3.220 |
3.215 |
0.4216 |
-0.3751 |
3.2 10 |
||||||
3 |
p-Cresol |
1.9 |
4.560 |
4.551 |
1.0122 |
0.0052 |
4.541 |
||||||
4 |
2,6-Dichlorobenzonitrile |
2.6 |
7.681 |
7.666 |
2.3898 |
0.3784 |
7.651 |
||||||
5 |
Chlorobenzene |
2.8 |
11.006 |
10.989 |
3.8589 |
0.5865 |
10.971 |
||||||
6 |
Bromobenzene |
3.0 |
12.659 |
12.635 |
4.5868 |
0.6615 |
12.610 |
||||||
7 |
Naphthalene |
3.6 |
17.185 |
17.149 |
6.5830 |
0.8184 |
17.113 |
||||||
8 |
Benzyl benzoate |
4.0 |
24.264 |
24.198 |
9.6998 |
0.9868 |
24.131 |
The graph of the linear relation of log Pow and log K is in the attachment.
The linear equation: y = 2.156x + 1.7427
Coefficient of correlation: 0.9906.
Injection |
Retention time/min |
capacityfactork |
logk |
logPow |
Average value |
1 |
4.292 |
0.8979 |
-0.0468 |
1.64 |
1.6 |
2 |
4.294 |
0.8987 |
-0.0464 |
1.64 |
Description of key information
The partition coefficient log Pow of α,α,α',α'-tetramethyl-m-xylene-α,α'-diol is 1.6.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.6
- at the temperature of:
- 20 °C
Additional information
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Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
