Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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IDENTITY
结构与身份
- 标准SMILES
- CC1CC(CC(=O)O)CC(C)(C)C1
- InChIKey
- VXUHWUNUVYCREV-UHFFFAOYSA-N
- 分子式
- C11H20O2
- 平均分子量
- 184.27 g/mol
- 单同位素质量
- 184.14632988
COMPUTED
结构计算性质
- XLogP
- 3.4
- 极性表面积
- 37.3 Ų
- 氢键供体
- 1
- 氢键受体
- 2
- 可旋转键
- 2
- 重原子
- 13
- 形式电荷
- 0
- 复杂度
- 196
GHS
GHS分类
GHS Classification
This chemical does not meet GHS hazard criteria for 98.9% (89 of 90) of all reports.
Not Classified；Reported as not meeting GHS hazard criteria by 89 of 90 companies (only 1.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 89 of 90 reports by companies.；There is 1 notification provided by 1 of 90 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
HAZARDS
危害信息
Regulatory Information
Chemical: Cyclohexaneacetic acid, 3,3,5-trimethyl-
Other Safety Information
IMAP assessments - Cyclohexaneacetic acid, 3,3,5-trimethyl-: Environment tier I assessment；IMAP assessments - Cyclohexaneacetic acid, 3,3,5-trimethyl-: Human health tier I assessment
Hazard Classes and Categories
Not Classified
REGULATORY
法规信息
Regulatory Information
Chemical: Cyclohexaneacetic acid, 3,3,5-trimethyl-
USES
用途与制造
Use Classification
Fragrance Ingredients
General Manufacturing Information
Cyclohexaneacetic acid, 3,3,5-trimethyl-: ACTIVE
ALIASES
名称与别名
Cyclohexaneacetic acid, 3,3,5-trimethyl-3,3,5-Trimethylcyclohexaneacetic acid3,3,5-Trimethylcyclohexylacetic acidEINECS 221-727-1DTXSID70863124RefChem:129549DTXCID60811790221-727-13213-73-82-(3,3,5-trimethylcyclohexyl)acetic acidNN5AQ2R85LSCHEMBL585400trimethyl cyclohexane acetic acidDAA213733,3,5-trimethyl-cyclohexylacetic acidAKOS009218973(3,3,5-trimethylcyclohexyl)acetic acid2-(3,3,5-trimethylcyclohexyl)aceticacidDB-286317NS00013262
REACTIONS
