에틸-3-하이드록시-3-페닐프로피오네이트

Ethyl 3-phenylhydracrylate, (+-)-

HCID 99818
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기본 정보

CAS
5764-85-2
표준 SMILES
CCOC(=O)CC(O)c1ccccc1
InChIKey
DVIBDQWVFHDBOP-UHFFFAOYSA-N
분자식
C11H14O3
평균 분자량
194.23 g/mol
단동위원소 질량
194.09429431

이름 및 식별자

우선 이름
Ethyl 3-phenylhydracrylate, (+-)-
IUPAC
ethyl 3-hydroxy-3-phenylpropanoate
현지명
에틸-3-하이드록시-3-페닐프로피오네이트
영어명
ETHYL-3-HYDROXY-3-PHENYL PROPIONATE
분자식
C11H14O3
분자량
194.23

이름 및 동의어

5764-85-23-Hydroxy-3-phenylpropionic acid ethyl esterEthyl 3-hydroxy-3-phenylpropionateHydracrylic acid, 3-phenyl-, ethyl ester3LXM18J49CBenzenepropanoic acid, beta-hydroxy-, ethyl esterBenzenepropanoic acid, .beta.-hydroxy-, ethyl esterEINECS 227-288-2NSC 226071NSC-226071AI3-06216DTXSID2052239
이름 더 보기
에틸-3-하이드록시-3-페닐프로피오네이트LABDANAXleather propionate3-hydroxy-3-phenylpentanoateEthyl β-hydroxybenzenepropanoateEthyl β-hydroxybenzenepropionateETHYL BETA-HYDROXYHYDROCINNAMATEEthyl-β-phenyl-β-hydroxypropionate2-Phenyl-2-hydroxy ethylpropionateETHYL-3-HYDROXY-3-PHENYL PROPIONATEHydracrylic acid, b-phenyl-, ethyl ester
ETHYL 3-PHENYLHYDRACRYLATE.BETA.-HYDROXYBENZENEPROPANOIC ACID ETHYL ESTERRefChem:595080DTXCID1030810Ethyl 3-phenylhydracrylate, (+-)-BETA-HYDROXYBENZENEPROPANOIC ACID ETHYL ESTER227-288-2Ethyl 3-hydroxy-3-phenylpropanoate

데이터베이스 식별자

CAS
5764-85-2
PubChem CID
99818
DTXSID
DTXSID2052239
ChEMBL
CHEMBL2252097
UNII
3LXM18J49C
EC Number
227-288-2
Nikkaji
J218.037E

물성

구조 계산 물성

XLogP
1.3
극성 표면적
46.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
5
무거운 원자 수
14

실험 및 물리화학적 성질

FragrancesFragrance Ingredient (Ethyl 3-hydroxy-3-phenylpropionate) -> IFRA transparency List

물리화학적 성질

끓는 점
154 · 154-156 °C(Press: 13 Torr)
밀도
1.119 · 1.119
굴절률
1.508 · 1.5080
저장 조건
2 · 2-8°C
용해도
클로로포름(소량으로 용해), 메탄올(약간 용해됨)
물리적 상태
고체

화학적 성질

Colorless or very pale straw-colored oil. Sweet-balsamic, fruity and slightly floral, herbaceous, warm odour, reminiscent of the most pleasant notes in refined Labdanum products.

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 69.5% (89 of 128) of all reports.

Warning

H302 (30.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 128 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 2건

Chemical: Benzenepropanoic acid, .beta.-hydroxy-, ethyl ester

Benzenepropanoic acid, .beta.-hydroxy-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Benzenepropanoic acid, .beta.-hydroxy-, ethyl ester: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (30.5%)

안전 데이터

tsca
TSCA listed

화학 및 산업

용도 및 제조

Use ClassificationFragrance Ingredients
General Manufacturing InformationBenzenepropanoic acid, .beta.-hydroxy-, ethyl ester: ACTIVE

상·하류 제품 정보

공급사46 곳

Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

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