Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
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IDENTITY
结构与身份
- 标准SMILES
- O=C(c1ccccc1)C1CCCCC1
- InChIKey
- BMFYCFSWWDXEPB-UHFFFAOYSA-N
- 分子式
- C13H16O
- 平均分子量
- 188.26 g/mol
- 单同位素质量
- 188.12011513
COMPUTED
结构计算性质
- XLogP
- 3.7
- 极性表面积
- 17.1 Ų
- 氢键供体
- 0
- 氢键受体
- 1
- 可旋转键
- 2
- 重原子
- 14
- 形式电荷
- 0
- 复杂度
- 185
PROPERTIES
实验与物化性质
Kovats Retention Index
1608；1586.2
GHS
GHS分类
GHS Classification
H411 (99.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 120 reports by companies from 2 notifications to the ECHA C&L Inventory.；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
Status: Active Update: 08-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/1898
Methanone, cyclohexylphenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Aquatic Chronic 2 (99.2%)
REGULATORY
法规信息
Regulatory Information
Status: Active Update: 08-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/1898
Methanone, cyclohexylphenyl-: Does not have an individual approval but may be used under an appropriate group standard
USES
用途与制造
General Manufacturing Information
Methanone, cyclohexylphenyl-: ACTIVE
ALIASES
名称与别名
Cyclohexyl phenyl ketone712-50-5CyclohexylphenylketoneMethanone, cyclohexylphenyl-DTXSID5048182NSC-8180NU53987V8DTXCID1028156RefChem:580880211-923-5Cyclohexyl(phenyl)methanoneBenzoylcyclohexanePhenyl cyclohexyl ketoneBenzoyl cyclohexaneCyclohexyl-phenyl-methanoneUSAF KF-3cyclohexylphenylmethanoneKETONE, CYCLOHEXYL PHENYLMFCD00001467Benzophenone, 1,2,3,4,5,6-hexahydro-
REACTIONS
参与反应
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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
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