Registration Dossier
Registration Dossier
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EC number: 246-836-1 | CAS number: 25321-14-6
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Peer reviewed data
Data source
Reference
- Reference Type:
- secondary source
- Title:
- Dinitrotoluene 80/20. Calculation of Log Octanol-Water Partition Coefficient with KOWWIN v.1.66, 2000.
- Author:
- Bayer AG
- Year:
- 2 003
- Bibliographic source:
- Personal communication; -cited in OECD SIDS; Dinitrotoluene (isomers mixture), CAS 25321-14-6, 2004
Materials and methods
Test guideline
- Guideline:
- other: no data
- GLP compliance:
- no
- Type of method:
- other: calculated
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Dinitrotoluene
- EC Number:
- 246-836-1
- EC Name:
- Dinitrotoluene
- Cas Number:
- 25321-14-6
- Molecular formula:
- C7H6N2O4
- IUPAC Name:
- Reaction mass of 1-methyl-2,4-dinitrobenzene and 2-methyl-1,3-dinitrobenzene
- Reference substance name:
- dinitrotoluene (isomer mixture)
- IUPAC Name:
- dinitrotoluene (isomer mixture)
- Details on test material:
- - Name of test material (as cited in study report): dinitrotoluene technical-grade
- Isomers composition: isomer mixture, ca. 80% 2,4-DNT and 20% 2,6-DNT
Constituent 1
Constituent 2
Study design
- Analytical method:
- not specified
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2
- Remarks on result:
- other: no data available for temperature and pH
Any other information on results incl. tables
The partition coefficient of DNT 80/20 is calculated by the weighted average of following measured values:
2,4-DNT: logPow = 1.98
2,6-DNT: logPow = 2.1
(Hansch C, Leo A, and Hoekman D (1995). Exploring QSAR, Hydrophobic, Electronic and Steric Constants. ACS Professional Reference Book, American Chemical Society, Washington, DC.)
- Value from general accepted authoritative secondary source, no data available for temperature and pH.
Applicant's summary and conclusion
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.
