메틸2-히드록시-4-메틸발레레이트

Methyl 2-hydroxy-4-methylpentanoate

HCID 62908
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기본 정보

CAS
40348-72-9
표준 SMILES
COC(=O)C(O)CC(C)C
InChIKey
JOSNYUDSMPILKL-UHFFFAOYSA-N
분자식
C7H14O3
평균 분자량
146.18 g/mol
단동위원소 질량
146.09429431

개요

Methyl DL-Leucate is a fatty acid ester.

이름 및 식별자

우선 이름
Methyl 2-hydroxy-4-methylpentanoate
IUPAC
methyl 2-hydroxy-4-methylpentanoate
현지명
메틸2-히드록시-4-메틸발레레이트
영어명
methyl 2-hydroxy-4-methylvalerate
분자식
C7H14O3
분자량
146.18

이름 및 동의어

Methyl 2-hydroxy-4-methylpentanoate40348-72-9Methyl 2-hydroxy-4-methylvalerateMethyl 2-hydroxyisocaproatePentanoic acid, 2-hydroxy-4-methyl-, methyl esterValeric acid, 2-hydroxy-4-methyl-, methyl esterFEMA No. 3706methyl 2-hydroxy-4-methyl valerateG89113PPP5EINECS 254-883-4DTXSID60865995METHYL 2-HYDROXY-4-METHYLPENTANOATE [FHFI]
이름 더 보기
메틸2-히드록시-4-메틸발레레이트METHYL-2-HYDROXY-4-METHYLPENTANOATEMethyl DL-2-Hydroxy-4-Methylvalerate4-Methyl-2-hydroxypentanoic acid methyl estermethyl 2-hydroxy-4-methylvalerate, 10 mM in DMSOaromatic,volatile,inhibit,vinegar,methyl 2 hydroxy 4 methylvalerate,microbiota,dominant,methyl 2hydroxy4methylvalerate,Zhenjiang,Inhibitor
RefChem:814462DTXCID30814339(+-)-METHYL 2-HYDROXY-4-METHYLPENTANOATEMETHYL 2-HYDROXY-4-METHYLPENTANOATE-(+-)-254-883-4Methyl DL-LeucateMFCD166938322-hydroxy-4-methylpentanoic acid methyl ester

데이터베이스 식별자

CAS
40348-72-9
PubChem CID
62908
DTXSID
DTXSID60865995
ChEBI
CHEBI:169035
UNII
G89113PPP5
EC Number
254-883-4
Nikkaji
J127.946G

물성

구조 계산 물성

XLogP
1.2
극성 표면적
46.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
4
무거운 원자 수
10

실험 및 물리화학적 성질

LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.951-0.957
Flavoring AgentsEU Flavoring substances
Solubility · 2건

slightly soluble in water; soluble in fat

(in ethanol)

Boiling Point72 °C (10 mm Hg)

물리화학적 성질

끓는 점
80 · 80-82 °C(Press: 18-20 Torr)
밀도
1.002 · 1.002±0.06 g/cm3(Predicted)
FEMA
3706 · 3706 | METHYL 2-HYDROXY-4-METHYLPENTANOATE
저장 조건
Refrigerator, under inert atmosphere
용해도
클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa)
13.07 · 13.07±0.20(Predicted)

화학적 성질

Methyl 2-hydroxy-4-methylpentanoate has a sweet, fruity, musty odor

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 98.9% (89 of 90) of all reports.

Not Classified

Aggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 2건

Chemical: Pentanoic acid, 2-hydroxy-4-methyl-, methyl ester

Pentanoic acid, 2-hydroxy-4-methyl-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

안전 데이터

신호 어
Warning
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Use Classification · 3건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

응용 분야

개요Methyl 2-hydroxy-4-methylpentanoate has a sweet, fruity, musty odor.

출처Reported found in guanabana

공급사23 곳

陕西缔都新材料有限公司81124267 17392282731 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
扬州瑞宏生物科技有限公司15380367604; 15380367604 · [email protected]

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