Registration Dossier
Registration Dossier
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EC number: 201-128-1 | CAS number: 78-63-7
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:
- Februari 12- September 11, 2008
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Well conducted study, according to OECD guideline, purity is mentioned.
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to other 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:
- 7.34
- Temp.:
- 20 °C
- Remarks on result:
- other: calculated, extrapolated
- Conclusions:
- The partition coefficient log Kow of di-tert-butyl 1,1,4,4-tetramethyltetramethylene diperoxide is 7.34.
- Executive summary:
The partition coefficient "Pow" (n-octanol-water) of the test substance was estimated by HPLC relative retention times of six or more reference compounds with known log Pow values as recommended by OECD Guidline 117. The octanol/water partition coefficient for the test compound was computed experimentally by determining the k' for a number of representative retention standards with known log Pow values and determining the slope and intercept by linear regression. Then, the log Pow was determined using the experimental k' value for the test compound. The calculated log Pow for DMHBP using the HPLC method is 7.34. The value compares well to the calculated value (EPI Suite v. 3.20, USEPA) of 6.55.
Reference
HPLC K’ Values HPLC for DMHBP and standards
Compound |
Log Kexp(avg) |
Log Pow |
Acetanilide |
-0.459 |
1 |
Acetophenone |
-0.158 |
1.7 |
Benzophenone |
0.451 |
3.2 |
Benzyl Benzoate |
0.813 |
4 |
2,6- Diphenylpyridine |
1.173 |
4.9 |
Triphenylamine |
1.618 |
5.7 |
4.4-DDT |
1.897 |
6.5 |
DMHBP |
2.268 |
7.34* |
*calculated, extrapolated
The calculated log Pow for DMHBP using the HPLC method is 7.34. A modifier (0.2% acetic acid) was necessary in accordance to OECD Method 117 to obtain good peak shape and ionization of the test compound in the mass spectrometer.
Description of key information
The partition coefficient log Kow of di-tert-butyl 1,1,4,4-tetramethyltetramethylene diperoxide is 7.34.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 7.34
- at the temperature of:
- 20 °C
Additional information
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.
