계피산에틸

Ethyl 3-phenylprop-2-enoate

HCID 7649CAS 103-36-6

기본 정보

표준 SMILES
CCOC(=O)C=Cc1ccccc1
InChIKey
KBEBGUQPQBELIU-UHFFFAOYSA-N
분자식
C11H12O2
평균 분자량
176.21 g/mol
단동위원소 질량
176.08372962

개요

ethyl (E/Z)-cinnamate has been reported in Mandragora autumnalis, Kaempferia galanga, and other organisms with data available.

이름 및 식별자

우선 이름
Ethyl 3-phenylprop-2-enoate
IUPAC
ethyl 3-phenylprop-2-enoate
현지명
계피산에틸
영어명
Ethyl cinnamate
분자식
C11H12O2
분자량
176.21

이름 및 동의어

Ethyl 3-phenylprop-2-enoateRefChem:1084880Ethyl 3-phenylacrylateethyl-(E)-cinnamate,ethyl-trans-cinnamate2-Propenoic acid, 3-phenyl-, ethyl ester, (2Z)-cis-Ethyl Cinnamate (contains up to 10% Ethyl dihydrocinnamateSCHEMBL112446orb1297381orb1940114orb3025570SCHEMBL1556354SCHEMBL3348480
이름 더 보기
계피산에틸에틸신남염에틸신남염에틸신나메이트신남산에틸CINNAMIC ACID ETHYL ESTER2-Propenoic acid, 3-phenyl-, ethyl esterFEMA 2430EthylphenylacryateETHYL TRANS-CINNAMATEEthyl 3-phenyl-2-propenoateEthyl (E)-3-phenylprop-2-enoateethyl (2E)-3-phenylprop-2-enoateNSC 6773
SCHEMBL9024482SCHEMBL9869478SCHEMBL9869485CHEMBL3182745SCHEMBL11372177SCHEMBL11372184SCHEMBL11533016Cinnamic acid, ethyl ester (6CI,7CI,8CI); 3-Phenyl-2-propenoic acid ethyl ester

데이터베이스 식별자

CAS
103-36-6
PubChem CID
7649
DTXSID
DTXSID9022520
ChEMBL
CHEMBL3182745

물성

구조 계산 물성

XLogP
3
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
4
무거운 원자 수
13

물리화학적 성질

녹는점
6 · 6-8 °C (lit.)
끓는 점
271 °C · 271 °C (lit.)
밀도
1.049 g/mL · 1.049 g/mL at 20 °C (lit.)
증기압
6 Pa · 6Pa at 20℃
굴절률
20 · n20/D 1.558(lit.)
FEMA
2430 · 2430 | ETHYL CINNAMATE
화학적 성질 · 1건

Ethyl Cinnamate, ethyl 3-phenylacrylate, C6H5CH=CHCOOC2H5.Occurs naturally in storax and the volatile oil of Koempferia galanga.The commercial product is a colourless liquid, invariably prepared artificially. Has a sweet balsami honey-note odor of great persistence. Ethyl cinnamate is useful in Oriental bouquets, and in combination with clary sage and citrus oils will make delightful amber colognes.

안전 및 규제

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
GD9010000
독성
The acute oral LD50 value in rats was reported as 7.8 g/kg (7.41-8.19 g/kg) (Russell, 1973). The acute dermal LD50 value in rabbits was reported as > 5 g/kg (Russell, 1973).
HS 번호
29163990
risk_code
20-22

화학 및 산업

응용 분야 · 4건

개요Ethyl cinnamate is the ester of cinnamic acid and ethanol, and is typically found in the essential oil of cinnamon. It is noteworthy that pure ethyl cinnamate has an aroma of cinnamon, complicated by balsamic and red fruit nuances,all of which can be characteristic of a fine Nebbiolo wine's aromatics.

출처Normally occurring in the trans-form; a cis-form also exists. Reported found in Oriental styrax, in the oil of Campheria galanga and in the rhizomes of Hedychium spicatum. Also reported found in cherry, American cranberry, pineapple, guava, strawberry, fresh blackberry, strawberry jam, soybean, yellow passion fruit juice, hybrid passion fruit juice, apple brandy, quince, prickly pear, strawberry wine, Bourbon vanilla, sea buckthorn, cinnamon leaf and root bark, clove, brandy, rum, sherry, grape wines, cocoa, soybean and other natural sources.

용도Ethyl cinnamate is used in medical intermediate, as a pharmaceutical intermediate and in organic synthesis.

일반 설명Ethyl cinnamate can be used as a flavoring and fragrance ingredient. It is one of the key odor components reported in Burgundy Pinot noir wines.

제조 방법 · 2건

생산 방법Ethyl cinnamate is found in storax oil, Kaempferia galanga, and several other oils. It is produced by the direct esterification esterification of ethanol with cinnamic acid under azeotropic conditions or by Claisen-type condensation of ethyl acetate and benzaldeyde in the presence of sodium metal .

By heating to 100°C cinnamic acid, alcohol and sulfuric acid in the presence of aluminum sulfate; also by Claisen condensation of benzaldehyde and ethyl acetate

공급사50 곳

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北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
추가 설명 · 3건

순도시험(1) 비중 : 이 품목의 비중은 1.045~1.051이어야 한다. (2) 굴절률 : 이 품목의 굴절률 은 1.558~1.560이어야 한다. (3) 용상 : 이 품목 1mL를 70% 에탄올 5mL에 녹일 때, 그 액은 징명하여야 한다. (4) 산가 : 이 품목의 산가는 향료시험법 중 산가측정법에 따라 시험할 때, 1 이하이어야 한다.

확인시험이 품목 1mL에 10% 알콜성수산화나트륨용액 10mL를 넣어「계피산메틸」의 확인시험에 따라 시험한다.

정량법이 품목 1g을 정밀히 달아 향료시험법 중 에스테르가 및 에스테르함량측정법에 따라 시험한다. 다만, 가열전에 물 5mL를 넣는다.0.5N 알콜성수산화칼륨용액 1mL = 88.11mg C11H12O2

관련 반응

64건

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