Registration Dossier
Registration Dossier
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EC number: 247-744-4 | CAS number: 26495-91-0
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: KOWWIN v.1.68 (U.S. Environmental Protection Agency)
- GLP compliance:
- no
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- N-[(triethoxysilyl)methyl]cyclohexylamine
- EC Number:
- 247-744-4
- EC Name:
- N-[(triethoxysilyl)methyl]cyclohexylamine
- Cas Number:
- 26495-91-0
- Molecular formula:
- C13H29NO3Si
- IUPAC Name:
- N-[(triethoxysilyl)methyl]cyclohexanamine
- Test material form:
- liquid
Constituent 1
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.07
- Temp.:
- 20 °C
- pH:
- 7
- Details on results:
CHEM :
MOL FOR: C13 H29 N1 O3 Si1
MOL WT : 275.47
-------+-----+--------------------------------------------+---------+--------
TYPE | NUM | LOGKOW FRAGMENT DESCRIPTION | COEFF | VALUE
-------+-----+--------------------------------------------+---------+--------
Frag | 3 | -CH3 [aliphatic carbon] | 0.5473 | 1.6419
Frag | 9 | -CH2- [aliphatic carbon] | 0.4911 | 4.4199
Frag | 1 | -CH [aliphatic carbon] | 0.3614 | 0.3614
Frag | 3 | -O- [oxygen, aliphatic attach] |-1.2566 | -3.7698
Frag | 1 | -NH- [aliphatic attach] |-1.4962 | -1.4962
Frag | 1 | -Si- [silicon, aromatic or oxygen attach]| 0.6800 | 0.6800
Const | | Equation Constant | | 0.2290
-------+-----+--------------------------------------------+---------+--------
Log Kow = 2.0662
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.
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