CAS 27372-03-8 Ethyl 3-hydroxy-2-methylbutyrate (HCID 656467)

기본 정보

CAS: 27372-03-8
표준 SMILES: CCOC(=O)C(C)C(C)O
InChIKey: BZFWGBFTIQSEBN-UHFFFAOYSA-N
분자식: C7H14O3
평균 분자량: 146.18 g/mol
단동위원소 질량: 146.09429431

이름 및 식별자

우선 이름: Ethyl 3-hydroxy-2-methylbutyrate
IUPAC: ethyl 3-hydroxy-2-methylbutanoate
현지명: 3-히드록시-2-메틸부탄산
영어명: 3-Hydroxy-2-methylbutanoic Acid
분자식: C7H14O3
분자량: 146.18

이름 및 동의어

Ethyl 3-hydroxy-2-methylbutyrate27372-03-8FEMA No. 4391UNII-MQ1HS6P9B1MQ1HS6P9B1Butyric acid, 3-hydroxy-2-methyl-, ethyl esterButanoic acid, 3-hydroxy-2-methyl-, ethyl ester(+-)-Ethyl 3-hydroxy-2-methylbutyrate (FIFH)(+-)-Ethyl 3-hydroxy-2-methylbutyrate [FIFH]RefChem:138694ETHYL 3-HYDROXY-2-METHYLBUTYRATE, (+-)-(+-)-ETHYL 3-HYDROXY-2-METHYLBUTYRATE [FHFI]

이름 더 보기

3-히드록시-2-메틸부탄산ethyl (2R,3S)-3-hydroxy-2-methylbutanoate3-Hydroxy-2-Methylbutanoic Acid Ethyl Ester3-Hydroxy-2-methylbutanoic Acid (Mixture of Diastereomers)3-Hydroxy-2-methylbutanoic Acid Ethyl Ester (Mixture of Diastereomers)

608-091-4(+-)-ETHYL 3-HYDROXY-2-METHYLBUTYRATEethyl 3-hydroxy-2-methylbutanoate(+/-)-Ethyl 3-hydroxy-2-methylbutyrateEthyl 3-hydroxy-2-methylbutyrate, (+/-)-(+/-)-Ethyl 3-hydroxy-2-methylbutyrate [FIFH]Ethyl 3-Hydroxy-2-methylbutyrate; 3-Hydroxy-2-methyl-butyric Acid Ethyl Ester;78088-28-5

데이터베이스 식별자

CAS: 27372-03-8
PubChem CID: 656467
DTXSID: DTXSID60950072
UNII: MQ1HS6P9B1
EC Number: 608-091-4
Nikkaji: J712.309D

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 10
형식 전하: 0
복잡도: 111

실험 및 물리화학적 성질

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

Density0.953-1.053 (20 °C)

Solubility · 2건

Soluble in water, DMSO, triacetin and vegetable oils

Soluble (in ethanol)

Boiling Point57-58 °C (2.9 mm Hg)

Refractive Index1.405-1.447

Physical DescriptionClear colourless liquid; Green fruity aroma

물리화학적 성질

끓는 점: 215.7 · 215.7±13.0 °C(Predicted)
밀도: 1.002 · 1.002±0.06 g/cm3(Predicted)
FEMA: 4391 · 4391 | (+/-)-ETHYL 3-HYDROXY-2-METHYLBUTYRATE
저장 조건: Refrigerator
용해도: 디클로로메탄, 아세트산에틸(약간), 메탄올(약간)에 용해됨
산도 계수 (pKa): 14.51 · 14.51±0.20(Predicted)
물리적 상태: 기름
색상: 무색~황색

화학 및 산업

용도 및 제조

Use Classification · 2건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

응용 분야

용도3-Hydroxy-2-methylbutanoic Acid Ethyl Ester_x000D_(Mixture of Diastereomers) (cas# 27372-03-8) is a compound useful in organic synthesis.

공급사7 곳

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