기본 정보
- 표준 SMILES
CCOC(=O)/C=C/c1ccccc1- InChIKey
KBEBGUQPQBELIU-CMDGGOBGSA-N- 분자식
- C11H12O2
- 평균 분자량
- 176.21 g/mol
- 단동위원소 질량
- 176.08372962
개요
Ethyl cinnamate is an alkyl cinnamate and an ethyl ester.
이름 및 식별자
- 우선 이름
- Ethyl Cinnamate
- IUPAC
- ethyl (E)-3-phenylprop-2-enoate
이름 및 동의어
ETHYL CINNAMATE103-36-6EthylcinnamateCinnamic acid ethyl esterEthylcinnamoateethyl (E)-3-phenylprop-2-enoate2-Propenoic acid, 3-phenyl-, ethyl esterEthyl benzylideneacetateFEMA No. 2430SemaSORB 9827C023P3M5JJNSC-6773
이름 더 보기
DTXCID802520DTXSID9022520RefChem:5810203-104-64192-77-2(E)-ethyl cinnamateEthyl (E)-cinnamateEthyl trans-cinnamate
데이터베이스 식별자
- CAS
103-36-6、4192-77-2- PubChem CID
- 637758
- DTXSID
DTXSID601017688- ChEMBL
CHEMBL318196- ChEBI
CHEBI:4895- UNII
- C023P3M5JJ
- EC Number
- 203-104-6
- Nikkaji
- J2.849E、J45.977A
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
- 형식 전하
- 0
- 복잡도
- 179
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Esters, Other
CosmeticsUv absorber
FragrancesFragrance Ingredient (Ethyl cinnamate) -> IFRA transparency List
LogP2.91
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.044-1.051
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; miscible in alcohols
miscible (in ethanol)
Boiling Point271-272 °C
Vapor Pressure0.00327 [mmHg]
Refractive Index1.558-1.562
Physical Description
Liquid
Nearly colorless oily liquid with a fruity, balsamic odor like cinnamon; mp = 6-10 deg C; [Merck Index] Colorless liquid; [Alfa Aesar MSDS]
Colourless liquid, sweet balsamic-honey note
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (1623 of 1623) of all reports.
Not Classified
Aggregated GHS information provided per 1623 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 2-Propenoic acid, 3-phenyl-, ethyl ester
Regulation (EC) No 1831/2003 (amended)
2-Propenoic acid, 3-phenyl-, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, 3-phenyl-, ethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 28-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/16754
Ethyl cinnamate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Propenoic acid, 3-phenyl-, ethyl ester: Human health tier I assessment
Hazards Summary
Causes somnolence and changes in motor activity in acute inhalation studies of mice; Causes blood changes and effects on enzymes in 17-week intermittent oral studies of rats; [RTECS] Safe when used as a flavoring agent in food; [JECFA] May cause irritation; [Alfa Aesar MSDS]
Hazard Classes and CategoriesNot Classified
화학 및 산업
용도 및 제조
UsesUsed as a fragrance and flavoring agent; [Merck Index] A pine weevil antifeedant. [ChemIDplus]
U.S. Production2020: 405 lb
Consumer UsesFragrance
Household ProductsInformation on 13 consumer products that contain Ethyl Cinnamate in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Cosmetics -> Uv absorber
General Manufacturing Information2-Propenoic acid, 3-phenyl-, ethyl ester: ACTIVE
관련 반응
111건
연결된 노트
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