1-Phenylethyl Acetate (HCID 62341)

概要

1-Phenylethyl acetate is a carboxylic ester. It is functionally related to a benzyl alcohol.

名称と識別子

優先名称: 1-Phenylethyl Acetate
IUPAC: 1-phenylethyl acetate
現地名: 酢酸2-メチルベンジル/酢酸3-メチルベンジル/酢酸4-メチルベンジル
英語名: Methylbenzyl acetate
分子式: C10
分子量: 0

名称と別名

1-Phenylethyl acetate93-92-5Styralyl acetatealpha-Methylbenzyl acetateMethylphenylcarbinyl acetateMethyl phenyl carbinyl acetatemethyl phenylcarbinyl acetatesec-Phenylethyl acetateUNII-FYS3E9NBA3.alpha.-Methylbenzyl acetateEINECS 202-288-5DTXSID6041636

名称をさらに表示

酢酸2-メチルベンジル/酢酸3-メチルベンジル/酢酸4-メチルベンジルMETHYLBENZYLACETATE(MIXEDORTHO,META,PARA)

Benzenemethanol, alpha-methyl-, acetateBENZENEMETHANOL, .ALPHA.-METHYL-, ACETATE1-Acetoxy-1-phenylethaneBRN 1908635AI3-18152FEMA 2684NSC-2397EC 202-288-5

データベース識別子

CAS: 29759-11-3、93-92-5
PubChem CID: 62341
DTXSID: DTXSID6041636
ChEMBL: CHEMBL3184429
ChEBI: CHEBI:180412
UNII: FYS3E9NBA3
EC Number: 202-288-5、608-412-8
Nikkaji: J155.063B

物性

構造計算による物性

XLogP: 2
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 12
形式電荷: 0
複雑度: 148

実験および物理化学的性質

FragrancesFragrance Ingredient (alpha-Methylbenzyl acetate) -> IFRA transparency List

Food Additives · 2 件

FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density · 2 件

1.024-1.040

1.020-1.035

Flavoring AgentsEU Flavoring substances

Solubility · 4 件

insoluble in water; soluble in organic solvents, oils

miscible at room temperature (in ethanol)

insoluble in water; soluble in organic solvents, oils

miscible at room temperature (in ethanol)

Boiling Point · 3 件

94.00 to 95.00 °C. @ 12.00 mm Hg

215-222 °C

214 °C

物理化学的性質

FEMA: 3702 · 3702 | METHYLBENZYL ACETATE (MIXED O,M,P)
臭い (Odor): 1 %。甘い花のフルーティーなハーブ · ジプロピレングリコール中1.00%。甘い花のフルーティーなハーブ
においのタイプ: 花柄
JECFA Number: 863 · 863
化粧品成分の機能: 香料香料
LogP: 2.28 · 2.28

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 100% (1775 of 1775) of all reports.

Not Classified

Aggregated GHS information provided per 1775 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 5 件

Chemical: Benzenemethanol, .alpha.-methyl-, acetate

Regulation (EC) No 1831/2003 (amended)

Benzenemethanol, .alpha.-methyl-, 1-acetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenemethanol, .alpha.-methyl-, 1-acetate are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 24-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/12745

Benzenemethanol, .alpha.-methyl-, acetate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

化学と産業

薬理情報

Cellular LocationsMembrane

用途と製造

U.S. Production2023: 10,000,000 - <25,000,000 lb

Consumer UsesFragrance

Industry UsesFragrance

Household ProductsInformation on 114 consumer products that contain Methylbenzyl Acetate in the following categories is provided:

Use Classification · 5 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information · 2 件

Soap, Cleaning Compound, and Toilet Preparation Manufacturing

Benzenemethanol, .alpha.-methyl-, 1-acetate: ACTIVE

応用分野

説明Synthesis: By acetylation of the alcohol.

調製方法

製造方法By acetylation of the alcohol.

サプライヤー50 社

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]

河北创海生物科技有限公司+86-86-13131129325 · [email protected]

酢酸2-メチルベンジル/酢酸3-メチルベンジル/酢酸4-メチルベンジル

基本情報

概要