Benzyl butyrate (HCID 7650)

概要

Phenylmethyl butanoate is a carboxylic ester. It is functionally related to a benzyl alcohol.

名称と識別子

優先名称: Benzyl butyrate
IUPAC: benzyl butanoate
現地名: 酪酸ベンジル
英語名: Benzyl butyrate
分子式: C11H14O2
分子量: 178.23

名称と別名

Benzyl butyrateBenzyl butanoateBenzyl n-butyratePhenylmethyl butanoateButanoic acid, phenylmethyl esterBenzyl n-butanoateButyric acid, benzyl esterPhenylmethyl butyrateBenzyl butyrate (natural)Benzylester kyseliny maselneFEMA No. 2140BENZYLBUTYRATE

名称をさらに表示

酪酸ベンジルブタン酸ベンジルブタン酸フェニルメチルベンジル=ブチラートベンジルブチレ-トベンジルブタノアートFEMA 2140Benzyl blltyrateBUTYRIC ACID BENZYL ESTERBenzylbutyratBcnzylbutyrat

NSC 8073DTXSID7047510BENZYL-N-BUTYRATEButanoic acid, benzyl estern-Butyric acid benzyl esterBenzylester kyseliny maselne [Czech]EINECS 203-105-1UNII-84L0NDE31F

データベース識別子

CAS: 103-37-7
PubChem CID: 7650
DTXSID: DTXSID7047510
ChEMBL: CHEMBL3183179
ChEBI: CHEBI:173824
UNII: 84L0NDE31F
EC Number: 203-105-1
Nikkaji: J35.107E

物性

構造計算による物性

XLogP: 2.8
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: 5
重原子数: 13
形式電荷: 0
複雑度: 148

実験および物理化学的性質

SpringerMaterials PropertiesDiamagnetic susceptibility

FragrancesFragrance Ingredient (Benzyl butyrate) -> IFRA transparency List

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density1.005-1.012

Flavoring AgentsEU Flavoring substances

Solubility · 2 件

insoluble in water, glycols, glycerol; soluble in organic solvents, oils

miscible at room temperature (in ethanol)

物理化学的性質

沸点: 240 °C · 240 °C (lit.)
比重(密度): 1.009 g/mL · 1.009 g/mL at 25 °C (lit.)
蒸気圧: 11.97 hPa · 11.97 hPa (109 °C)
FEMA: 2140 · 2140 | BENZYL BUTYRATE
屈折率: 20 · n20/D 1.494(lit.)
闪点: 225 °F · 225 °F
貯蔵温度: 30 °C · Store below +30°C.
外見: clear liquid
色: 無色の液体
臭い (Odor): プラムのようなフローラルな香り
においのタイプ: フルーティーな
由来生物: synthetic
水溶解度: 136 mg/L · 136mg/L
JECFA Number: 843 · 843
BRN: 2047625 · 2047625
Dielectric constant: 4.55 · 4.5499999999999998
主な用途: フレーバーそして香料
化粧品成分の機能: 香料
InChI: 1S/C11H14O2/c1-2-6-11(12)13-9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3
InChIKey: VONGZNXBKCOUHB-UHFFFAOYSA-N
SMILES: CCCC(=O)OCc1ccccc1
LogP: 3.127 at · 3.127 at 25℃
CAS データベース: 103 · 103-37-7(CAS DataBase Reference)
NISTの化学物質情報: Butanoic acid, phenylmethyl ester(103-37-7)
EPAの化学物質情報: Butanoic acid, phenylmethyl ester (103-37-7)

化学的性質

化学的特性Benzyl butyrate has a characteristic fruity-floral, plum-like odor and a sweet, pear-like taste.

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 99.2% (1632 of 1645) of all reports.

Not Classified

Aggregated GHS information provided per 1645 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 4 件

Chemical: Butanoic acid, phenylmethyl ester

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

REACH registered substance: Benzyl butyrate (EC: 203-105-1)

Butanoic acid, phenylmethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Butanoic acid, phenylmethyl ester: Human health tier I assessment

Hazard Classes and CategoriesNot Classified

安全データ

wgk: 2
tsca: TSCA listed
rtecs: ES7350000
毒性: LD50 orally in Rabbit: 2330 mg/kg LD50 dermal Rabbit > 5000 mg/kg
hs_code: 29156000
化審法: (3)-1020, (3)-1045
消防法: 危-4-3-III
safety_code: 24/25
ストレージクラス: 10 - Combustible liquids

化学と産業

薬理情報

Cellular LocationsMembrane

用途と製造

Household ProductsInformation on 4 consumer products that contain Benzyl Butyrate in the following categories is provided:

Use Classification · 5 件

Fragrance Ingredients

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationButanoic acid, phenylmethyl ester: ACTIVE

応用分野 · 3 件

用途着香剤、香料原料。

天然物の起源Reported found in papaya, black tea, Passiflora edulis juice, cherimoya (Annona cheremolia Mill.), Bourbon vanilla, mountain papaya and hog plum (Spondias mombins L.).

使用Plasticizer, odorants, flavoring.

調製方法

製造方法By heating benzyl chloride and sodium butyrate in water or butyric acid and benzyl chloride under pressure.

上流・下流製品情報

上流原料

塩化ベンジルベンジルアルコール酪酸ナトリウム

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

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

酪酸ベンジル

基本情報

概要