结构:CCC(O)c1ccccc1
HCID7147

1-Phenyl-1-propanol

1-phenylpropan-1-ol

C9H12O136.19 g/molCAS 1335-12-2

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

已同步
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

来源:PubChem
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

来源:PubChem
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

来源:PubChem
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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

来源:PubChem
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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

来源:PubChem
Cellular Locations

Cytoplasm;Extracellular

USES

用途与制造

来源:PubChem
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

136
1-Phenyl-1-propanol1-Phenylpropan-1-ol93-54-9PhenylpropanolPhenycholonFelicurLivonalEjibilFeparFelitropePhenicolPhenycholBilergonCarbicolEpatoxfenGallenperlenPhenylcholCholedaUnicholalpha-Ethylbenzyl alcohol

REACTIONS

参与反应

32
HRID114314

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物
HRID 114314 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看条件与参与物
HRID167407

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物
HRID 167407 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

查看条件与参与物
HRID294590

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为反应物
HRID 294590 方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

查看条件与参与物