uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07728159B2
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IDENTITY
结构与身份
- 标准SMILES
- CCC(O)c1ccccc1
- InChIKey
- DYUQAZSOFZSPHD-UHFFFAOYSA-N
- 分子式
- C9H12O
- 平均分子量
- 136.19 g/mol
- 单同位素质量
- 136.088815
COMPUTED
结构计算性质
- XLogP
- 1.9
- 极性表面积
- 20.2 Ų
- 氢键供体
- 1
- 氢键受体
- 1
- 可旋转键
- 2
- 重原子
- 10
- 形式电荷
- 0
- 复杂度
- 84
PROPERTIES
实验与物化性质
Density
0.993-1.000
Solubility
0.6 g/L @ 20 °C (exp)
insoluble in water; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point
103.00 °C. @ 14.00 mm Hg
219 °C
Refractive Index
1.517-1.522
Physical Description
Oily liquid with a mild ester-like odor; [Merck Index] Clear colorless liquid; [Sigma-Aldrich MSDS]
colourless oily liquid with a sweet floral balsamic odour
Kovats Retention Index
1908
GHS
GHS分类
GHS Classification
Warning
H302 (25.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (76.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P270, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 314 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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: Benzenemethanol, .alpha.-ethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 19-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/11867
1-Phenyl-1-propanol: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Safe when used as a flavoring agent in food; [JECFA] May cause irritation; Toxic by ingestion; [Sigma-Aldrich MSDS]
Hazard Classes and Categories
Acute Tox. 4 (25.2%)；Skin Irrit. 2 (76.1%)
REGULATORY
法规信息
Regulatory Information
Chemical: Benzenemethanol, .alpha.-ethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 19-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/11867
1-Phenyl-1-propanol: Does not have an individual approval but may be used under an appropriate group standard
PHARMACOLOGY
药理信息
Cellular Locations
Cytoplasm；Extracellular
USES
用途与制造
Uses
Used as a heat transfer medium, in perfumery, and as a choleretic; [Merck Index] Used as a flavoring agent; [FDA]
Household Products
Information on 3 consumer products that contain Phenylpropanol in the following categories is provided:；• Inside the Home
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
ALIASES
名称与别名
1-Phenyl-1-propanol1-Phenylpropan-1-ol93-54-9PhenylpropanolPhenycholonFelicurLivonalEjibilFeparFelitropePhenicolPhenycholBilergonCarbicolEpatoxfenGallenperlenPhenylcholCholedaUnicholalpha-Ethylbenzyl alcohol
REACTIONS
参与反应
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