uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06858627B2
查看IDENTITY
结构与身份
- 标准SMILES
- SC1CCCC1
- InChIKey
- WVDYBOADDMMFIY-UHFFFAOYSA-N
- 分子式
- C5H10S
- 平均分子量
- 102.2 g/mol
- 单同位素质量
- 102.05032149
COMPUTED
结构计算性质
- XLogP
- 1.8
- 极性表面积
- 1 Ų
- 氢键供体
- 1
- 氢键受体
- 1
- 可旋转键
- 0
- 重原子
- 6
- 形式电荷
- 0
- 复杂度
- 37
PROPERTIES
实验与物化性质
Density
0.920-0.925
Solubility
758 mg/L @ 25 °C (calc.)
slightly soluble in water; soluble in alcohol and oils
(in ethanol)
Boiling Point
41.00 to 42.00 °C. @ 16.00 mm Hg
131 °C
Refractive Index
1.488
Physical Description
colourless liquid
Kovats Retention Index
829
1107;1111;1133;1139.1
GHS
GHS分类
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 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
Chemical: Cyclopentanethiol
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Cyclopentanethiol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety Information
Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and Categories
Flam. Liq. 3 (100%)
REGULATORY
法规信息
Regulatory Information
Chemical: Cyclopentanethiol
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Cyclopentanethiol: Does not have an individual approval but may be used under an appropriate group standard
PHARMACOLOGY
药理信息
Cellular Locations
Membrane
USES
用途与制造
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
Cyclopentanethiol: INACTIVE
ALIASES
名称与别名
REACTIONS
参与反应
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