2-Phenyl-1-propanol

HCID 178799004CAS 98103-87-8

部分構造検索類似構造を探す

基本情報

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

概要

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

名称と識別子

優先名称: 2-Phenyl-1-propanol
IUPAC: 2-phenylpropan-1-ol
英語名: 2-Phenyl-1-propanol
分子式: C9H12O
分子量: 136.19

名称と別名

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

名称をさらに表示

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-

データベース識別子

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

物性

構造計算による物性

XLogP: 2.4
極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 10
形式電荷: 0
複雑度: 84.7

実験および物理化学的性質

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 件

Soluble in oils; Slightly soluble in water

Soluble (in ethanol)

物理化学的性質

沸点: 110 · 110-111 °C10 mm Hg(lit.)
比重(密度): 0.975 g/mL · 0.975 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.526(lit.)
闪点: 201 °F · 201 °F
色: 無色の液体。
CAS データベース: 98103 · 98103-87-8(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 3 件

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.

危険有害性情報

Regulatory Information · 4 件

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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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 件

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

安全データ

wgk: 2
rtecs: SG8590000
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)
safety_code: 23-24/25

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

UsesUsed as a flavoring agent; [FDA]

Use Classification · 4 件

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

応用分野

天然物の起源Has apparently not been reported to occur in nature.

調製方法

製造方法By catalytic hydrogenation of the corresponding aldehyde.

サプライヤー6 社

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]