CAS 15399-05-0 Ethyl phenyllactate, (+-)- (HCID 6429708)

기본 정보

CAS: 15399-05-0
표준 SMILES: CCOC(=O)C(O)Cc1ccccc1
InChIKey: HBOGUIFRIAXYNB-UHFFFAOYSA-N
분자식: C11H14O3
평균 분자량: 194.23 g/mol
단동위원소 질량: 194.09429431

개요

Ethyl 2-hydroxy-3-phenylpropanoate is a carboxylic ester obtained by the formal condensation of the carboxy group of 3-hydroxy-3-phenylpropionic acid with ethanol. It has a role as a metabolite. It is a member of benzenes and a carboxylic ester. It is functionally related to a 3-hydroxy-3-phenylpropionic acid.

이름 및 식별자

우선 이름: Ethyl phenyllactate, (+-)-
IUPAC: ethyl 2-hydroxy-3-phenylpropanoate
영어명: ethyl 2-hydroxy-3-phenylpropanoate
분자식: C11H14O3
분자량: 194.22706

이름 및 동의어

ethyl 2-hydroxy-3-phenylpropanoate15399-05-0Ethyl 2-hydroxy-3-phenylpropionate3-Phenyllactic acid ethyl esterEthyl phenyllactate, (+-)-R64374A2E5CHEBI:87513DTXSID50934886RefChem:596375DTXCID50218335Benzopropanoic acid, alpha-hydroxy-, ethyl esterEthyl phenyllactate

이름 더 보기

ethyl phenyl lactateBenzenepropanoic acid, α-hydroxy-, ethyl ester

MFCD00128177Phenyllactic acid ethyl esterFEMA No. 4598Lactic acid, 3-phenyl-, ethyl esterPropanoic acid, 2-hydroxy-3-phenyl, ethyl esterEthyl alpha-hydroxyhydrocinnamateUNII-R64374A2E5Benzenepropanoic acid, alpha-hydroxy-, ethyl ester

데이터베이스 식별자

CAS: 15399-05-0
PubChem CID: 6429708
DTXSID: DTXSID50934886
ChEBI: CHEBI:87513
UNII: R64374A2E5
Nikkaji: J303.567K

물성

구조 계산 물성

XLogP: 2
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 14
형식 전하: 0
복잡도: 173

실험 및 물리화학적 성질

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

Density1.092-1.102

Solubility · 2건

Insoluble

Soluble (in ethanol)

Boiling Point108 @ 0.3 kPa

Refractive Index1.528-1.538

Physical DescriptionColourless to pale yellow clear liquid / Black pepper like aroma

물리화학적 성질

녹는점: 46 · 46-47 °C
끓는 점: 152 · 152-154 °C(Press: 2 Torr)
밀도: 1.105 g/cm3 · 1.105 g/cm3(Temp: 17 °C)
FEMA: 4598 · 4598 | ETHYL 2-HYDROXY-3-PHENYLPROPIONATE
저장 조건: -20 °C · -20°C Freezer
용해도: 아세톤 (약간 용해됨), 클로로포름 (약간 용해됨), DMSO (약간 용해됨)
물리적 상태: 기름
산도 계수 (pKa): 13.14 · 13.14±0.20(Predicted)

안전 및 규제

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

용도 및 제조

Use Classification · 2건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

응용 분야

용도Ethyl 2-Hydroxy-3-phenylpropanoate (cas# 15399-05-0) was detected as a compound in vinasse-cured duck during processing.

공급사23 곳

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海科斯克尔医药科技有限公司00000000 15021108835 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

화합물 노트

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Ethyl phenyllactate, (+-)-