벤질 뷰틸산

Benzyl butyrate

HCID 7650CAS 103-37-7
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCCC(=O)OCc1ccccc1
InChIKey
VONGZNXBKCOUHB-UHFFFAOYSA-N
분자식
C11H14O2
평균 분자량
178.23 g/mol
단동위원소 질량
178.09937969

개요

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

이름 및 식별자

우선 이름
Benzyl butyrate
IUPAC
benzyl butanoate
현지명
벤질 뷰틸산
영어명
Benzyl butyrate
분자식
C11H14O2
분자량
178.23

이름 및 동의어

Benzyl butyrateBenzyl butanoateBenzyl n-butyratePhenylmethyl butanoateButanoic acid, phenylmethyl esterBenzyl n-butanoateButyric acid, benzyl esterPhenylmethyl butyrateBenzyl butyrate (natural)Benzylester kyseliny maselneFEMA No. 2140BENZYLBUTYRATE
이름 더 보기
벤질뷰틸산벤질뷰틸산FEMA 2140Benzyl blltyrateBUTYRIC ACID BENZYL ESTERBenzylbutyratBcnzylbutyrat
NSC 8073DTXSID7047510BENZYL-N-BUTYRATEButanoic acid, benzyl estern-Butyric acid benzyl esterBenzylester kyseliny maselne [Czech]EINECS 203-105-1UNII-84L0NDE31F

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
2.8
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
5
무거운 원자 수
13

실험 및 물리화학적 성질

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 · 2건

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

miscible at room temperature (in ethanol)

물리화학적 성질

끓는 점
240 °C · 240 °C (lit.)
밀도
1.009 g/mL · 1.009 g/mL at 25 °C (lit.)
증기압
11.97 hPa · 11.97 hPa (109 °C)
FEMA
2140 · 2140 | BENZYL BUTYRATE
굴절률
20 · n20/D 1.494(lit.)
인화점
225 °F · 225 °F

화학적 성질

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

안전 및 규제

GHS 분류

GHS Classification · 3건

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.

유해성 정보

Regulatory Information · 4건

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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
ES7350000
독성
LD50 orally in Rabbit: 2330 mg/kg LD50 dermal Rabbit > 5000 mg/kg
HS 번호
29156000
safety_code
24/25

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

Household ProductsInformation on 4 consumer products that contain Benzyl Butyrate in the following categories is provided:
Use Classification · 5건

Fragrance Ingredients

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

General Manufacturing InformationButanoic acid, phenylmethyl ester: ACTIVE

응용 분야

출처Reported found in papaya, black tea, Passiflora edulis juice, cherimoya (Annona cheremolia Mill.), Bourbon vanilla, mountain papaya and hog plum (Spondias mombins L.).

용도Plasticizer, odorants, flavoring.

제조 방법

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

상·하류 제품 정보

공급사50 곳

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]

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