Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 249-060-1 | CAS number: 28510-23-8
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:
- 27 Mar to 18 Apr 1995
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- GLP compliance:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- > 6
- Remarks on result:
- other: pH and temperature were not reported
- Conclusions:
- log Pow of the substance was determined to be > 6.0
- Executive summary:
The octanol / water partition co-efficient was determined to be log Pow > 6.0 using OECD Test Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method) which was reported in: NPG 2EH: Determination of octanol-water partition coefficient (log10 kow), Brixham Environmental Laboratory, Brixham, UK Dated: 12-July-1995.
Reference
pH and temperature are not reported
log10Kowcalculated using the regression equation, log10Kow= a log10k + b
Peak no. | Calculated log10Kow(UV) | Calculated log10Kow(RI) |
1 | 5.3 | -1 |
2 | 7.5 | 7.42 |
1Not detected by RI. Based on detection limit, this component was present at less than 1% w/w.
2Slight differences in log10Kowestimation is within experimental error. This component is present at greater than 1 % w/w.
Description of key information
NPG 2EH: Determination of octanol-water partition coefficient (log10 kow)
The octanol / water partition co-efficient was determined to be log Pow > 6.0 using OECD Test Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method) which was reported in: NPG 2EH: Determination of octanol-water partition coefficient (log10 kow), Brixham Environmental Laboratory, Brixham, UK Dated: 12-July-1995.
QSAR Estimation (KOWWIN)
The partition coefficient of 2,2 -dimethylpropane-1,3 2 -ethylhexanoate CAS 28510 -23 -8 was determined to be log Pow 7.51 using a validated QSAR estimation tool (KOWWIN (the Log Octanol-Water Partition Coefficient Program). QSAR results are acceptable as it meets the requirements of Regulation (EC) No 1907/2006 Annex XI paragraph 1.3.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 6
Additional information
The log Pow of the substance NPG di-2-ethylhexanoate (CAS 28510-23-8) was determined by HPLC method according to OECD Guideline 117. The QSAR calculation (log Pow = 7.51) with KOWWIN (v1.68) is supports this.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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.
