Benzyl 3-methylbutanoate

HCID 7651CAS 103-38-8

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기본 정보

표준 SMILES
CC(C)CC(=O)OCc1ccccc1
InChIKey
HVJKZICIMIWFCP-UHFFFAOYSA-N
분자식
C12H16O2
평균 분자량
192.258 g/mol
단동위원소 질량
192.11502975

이름 및 식별자

우선 이름
Benzyl 3-methylbutanoate
IUPAC
Benzyl 3-methylbutanoate
영어명
Benzyl isovalerate
분자식
C12H16O2
분자량
192.25

이름 및 동의어

FEMA 2151FEMA 2152Butanoic acid, 3-methyl-, phenylmethyl esterBenzyl isopentanoateBenzylisovaleratBenzyl isovalerateBENZYLISOVALERIANATBENZYL 3-METHYLBUTYRATEBENZYL-3-METHYL BUTANOATEisovalericacid,benzylester

데이터베이스 식별자

CAS
103-38-8
PubChem CID
7651
DTXSID
DTXSID1047603
ChEMBL
CHEMBL3184059
ChEBI
CHEBI:179904
UNII
87UKH01DMA
EC Number
203-106-7
Nikkaji
J36.795H

물성

물리화학적 성질

끓는 점
116 °C9 · 116 °C9 mm Hg(lit.)
밀도
0.988 g/mL · 0.988 g/mL at 25 °C(lit.)
증기압
4.74 Pa · 4.74Pa at 25℃
FEMA
2152 · 2152 | BENZYL ISOVALERATE
굴절률
20 · n20/D 1.488(lit.)
인화점
230 °F · >230 °F

화학적 성질

BENZYL ISOVALERATE is a liquid with a heavy, floral odor, which is used in perfumery for oriental and heavy blossom odors.

안전 및 규제

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
NY1415000
독성
Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg(Moreno, 1974).
HS 번호
29156000
risk_code
36/38

화학 및 산업

응용 분야 · 2건

출처Reported found in cherimoya (Anonna cherimoli Mill.), sapodilla fruit and lambs’ lettuce (Valerianella locusta).

용도Sometimes used in perfume formulations for Oriental fragrance types - it blends well with Opopanax - in Rose bases, Fougercs, and in novelty-type fragrances (Tobaccoeffect, etc.). It is somewhat fresher-floral than the n-valerate. Used in flavour compositions for imitation Apple, Apricot, Banana, Cherry, Cheese, Pineapple, Raspberry, Walnut, etc. It is also suggested for use in Tobacco flavours. Concentrations are usually about 50 ppm in the finished product but may be as high as 200 ppm in chewing gum.

제조 방법

May be prepared by esterification of isovaleric acid with benzyl alcohol.

상·하류 제품 정보

상류 원료

공급사50 곳

上海利卡斯实业有限公司19821976800 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [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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