Registration Dossier
Registration Dossier
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EC number: 242-055-5 | CAS number: 18171-14-7
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study
- Justification for type of information:
- Log Kow (version 1.68 estimate); study technically not feasible
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test guideline
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- Log Kow (version 1.68 estimate)
- GLP compliance:
- no
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- other: QSAR
Test material
- Reference substance name:
- (3-chloropropyl)methoxydimethylsilane
- EC Number:
- 242-055-5
- EC Name:
- (3-chloropropyl)methoxydimethylsilane
- Cas Number:
- 18171-14-7
- Molecular formula:
- C6H15ClOSi
- IUPAC Name:
- (3-chloropropyl)(methoxy)dimethylsilane
- Test material form:
- liquid
Constituent 1
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 3.57
- Temp.:
- 20 °C
- pH:
- 7
- Details on results:
- Log Kow(version 1.68 estimate): 3.57
SMILES : CCO[Si](C)(C)CCCCL
CHEM :
MOL FOR: C7 H17 CL1 O1 Si1
MOL WT : 180.75
-------+-----+--------------------------------------------+---------+--------
TYPE | NUM | LOGKOW FRAGMENT DESCRIPTION | COEFF | VALUE
-------+-----+--------------------------------------------+---------+--------
Frag | 3 | -CH3 [aliphatic carbon] | 0.5473 | 1.6419
Frag | 4 | -CH2- [aliphatic carbon] | 0.4911 | 1.9644
Frag | 1 | -O- [oxygen, aliphatic attach] |-1.2566 | -1.2566
Frag | 1 | -CL [chlorine, aliphatic attach] | 0.3102 | 0.3102
Frag | 1 | -Si- [silicon, aromatic or oxygen attach]| 0.6800 | 0.6800
Const | | Equation Constant | | 0.2290
-------+-----+--------------------------------------------+---------+--------
Log Kow = 3.5689
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.
