(±)-2-苯基-1-丙醇

2-Phenyl-1-propanol

HCID 178799004CAS 98103-87-8
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基本信息

标准SMILES
CC(CO)c1ccccc1
InChIKey
RNDNSYIPLPAXAZ-UHFFFAOYSA-N
分子式
C9H12O
平均分子量
136.19 g/mol

概述

2-Phenyl-1-propanol is a member of benzenes.

名称与标识

首选名称
2-Phenyl-1-propanol
IUPAC
2-phenylpropan-1-ol
中文名
(±)-2-苯基-1-丙醇
英文名
2-PHENYL-1-PROPANOL
分子式
C9H12O
分子量
136.19

名称与别名

2-Phenylpropan-1-ol2-Phenyl-1-propanol1123-85-9Hydratropic alcoholbeta-Methylphenethyl alcohol2-Phenylpropyl alcoholHydratropyl alcohol1-Hydroxy-2-phenylpropane2-Phenylpropanol-11-Propanol, 2-phenyl-Benzeneethanol, beta-methyl-FEMA No. 2732
展开更多名称
Β-苯丙醇2-苯丙醇Β-羟基异丙苯Β-羟基乙苯丙醇Β-甲基苯基乙醇Hydrotropic alcoholFEMA 2732β-HydroxycuMeneTIMTEC-BB SBB007853RARECHEM AL BD 01232-PHENYL PROPYL ALCOHOLHYDRATROPIC ALCOHOL WHITEB-METHYLPHENETHYL ALCOHOLBETA-PHENYLPROPYL ALCOHOL
DTXSID8037756NSC-523227ZYZ88DWUPHENETHYL ALCOHOL, beta-METHYL-DTXCID6017756RefChem:478219214-379-7Benzeneethanol, .beta.-methyl-

数据库标识

CAS
98103-87-8
ChEMBL
CHEMBL2323841
ChEBI
CHEBI:193640
UNII
27ZYZ88DWU
EC Number
214-379-7
Nikkaji
J69.580G

性质

结构计算性质

XLogP
2.4
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

实验与物化性质

PolymersOther Classes -> Alcohols and Polyols, Other
FragrancesFragrance Ingredient (beta-Methylphenethyl alcohol) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.971-0.978
Flavoring AgentsEU Flavoring substances
Solubility · 2 条

Soluble in oils; Slightly soluble in water

Soluble (in ethanol)

物理化学性质

沸点
110 · 110-111 °C10 mm Hg(lit.)
密度
0.975 g/mL · 0.975 g/mL at 25 °C(lit.)
折射率
20 · n20/D 1.526(lit.)
闪点
201 °F · 201 °F
颜色
A colourless liquid.
CAS 数据库
98103 · 98103-87-8(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 3 条

This chemical does not meet GHS hazard criteria for 93.1% (268 of 288) of all reports.

Not Classified

Aggregated GHS information provided per 288 reports by companies from 5 notifications to the ECHA C&L Inventory.

危害信息

Regulatory Information · 4 条

Chemical: Benzeneethanol, .beta.-methyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 09-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30222

Benzeneethanol, .beta.-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards Summary · 1 条

Causes changes in liver, bladder, and kidney weights, changes in erythrocyte count, normocytic anemia, and weight loss in 13-week oral studies of rats; [RTECS] Safe when used as a flavoring agent in food; [JECFA] May cause irritation; Harmful by ingestion; [Alfa Aesar MSDS]

Hazard Classes and CategoriesNot Classified

安全数据

wgk
2
毒性
The acute oral LD50 value in rats was reported as 2.3 ± 0.407 g/kg (McGee, 1974). The acute dermal LD50 value in rabbits exceeded 5 g/kg (McGee, 1974)
RTECS号
SG8590000
安全说明
23-24/25

化学与工业

药理信息

Cellular LocationsCytoplasm

用途与制造

UsesUsed as a flavoring agent; [FDA]
Use Classification · 4 条

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationBenzeneethanol, .beta.-methyl-: ACTIVE

供应商6 家

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
山东洛克化工有限公司17653113209 13065062079 · [email protected]
山东智尚新材料有限公司+8617653113209 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
SHANDONG ZHI SHANG CHEMICAL CO.LTD0531-68652808 18953170293 · [email protected]

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