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EC number: 233-881-7 | CAS number: 10411-92-4
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:
- From 08 January 1996 to 07 February 1996
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- The study was conducted according to an internationally recognised method, and under GLP. No deviation was reported. Test substance ID is adequately specified with purity and isomers composition. Therefore full validation applies.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- (1989)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Version / remarks:
- (Directive 92/69/EEC)
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 4.8
- Temp.:
- 25 °C
- Remarks on result:
- other: pH not specified
- Conclusions:
- The substance has potential to bioaccumulate in the environment, according to CLP classification criteria for aquatic chronic toxicity (log Kow >4).
- Executive summary:
The partition coefficient of the test substance Butyl Cyclohexyl Acetate was measured, under GLP, according to the OECD 117/EU A8 guideline, HPLC method.
The system was calibrated with 7 reference substances, and the result for the sample was interpolated from the linear regression.
The partition coefficient (log Kow) of the test substance has been determined to be 4.8 (at 25°C, pH not specified).
- Endpoint:
- partition coefficient
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Justification for type of information:
- Based on structural similarity (same isomers in a different ratio) and co-elution in HPLC, both substances are not expected to have significantly different partition coefficient. Therefore the result of the study will be considered as a limit value for the target substance.
Further information is included in IUCLID Section 13. - Reason / purpose for cross-reference:
- read-across source
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.8
- Temp.:
- 25 °C
- Remarks on result:
- other: pH not specified
- Conclusions:
- (from analogue) The substance has potential to bioaccumulate in the environment, according to CLP classification criteria for aquatic chronic toxicity (log Kow >4).
- Executive summary:
The partition coefficient of the analogue test substance was measured, under GLP, according to the OECD 117/EU A8 guideline, HPLC method.
The system was calibrated with 7 reference substances, and the result for the sample was interpolated from the linear regression.
The partition coefficient (log Kow) of the test substance has been determined to be 4.8 (at 25°C, pH not specified).
A similar log Kow is anticipated for the target substance.
Referenceopen allclose all
| Reference substances | Log Kow | tR1 | tR2 | tRm | k | log k |
| Thiourea | --- | 1.38 | 1.37 | 1.37 | ||
| Aniline | 0.9 | 2.12 | 2.10 | 2.11 | 0.539 | -0.269 |
| Acetophenone | 1.7 | 2.56 | 2.53 | 2.54 | 0.853 | -0.069 |
| Benzophenone | 3.2 | 4.67 | 4.66 | 4.67 | 2.401 | 0.380 |
| Naphtalene | 3.6 | 5.62 | 5.62 | 5.62 | 3.092 | 0.490 |
| 1,2,4 -trichlorobenzene | 4.2 | 9.01 | 9.01 | 9.01 | 5.565 | 0.745 |
| n-butylbenzene | 4.6 | 10.68 | 10.66 | 10.67 | 6.884 | 0.838 |
| Triphenylamine | 5.7 | 20.08 | 20.14 | 20.11 | 13.651 | 1.135 |
tR1, tR2, tRm: retention times (1st and 2nd calibration, average)
k = (tR/t0) -1: capacity factor
t0: dead time = retention time of thiourea
Linear regression parameters: log Kow = a x log k + b
a = 3.296
b = 1.869
r² = 0.996
Test substance:
A chromatogram of Butyl Cyclohexyl Acetate obtained in the same conditions but with simultaneous UV and RI detections confirmed that both isomers correspond to one single peak at Rt ca 11.64 - 11.72 min.
tR1 = 11.722
tR2 = 11.641
tRm = 11.6815
k = 7.511
log k = 0.876
log Kow = 4.8
Description of key information
(from analogue) The substance has potential for bioaccumulation, according to CLP classification criteria for aquatic chronic toxicity (log Kow >4).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.8
- at the temperature of:
- 25 °C
Additional information
No data is available on the substance itself. However, a reliable experimental study, conducted according to a recognized OECD/EC method and under GLP, is available on an analogue (mixture of isomers). Based on non-differentiated isomers, the read-across is considered justified for a key study, and the result is retained as key data for purpose of CSA.
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