기본 정보
- CAS
538-65-8- 표준 SMILES
CCCCOC(=O)/C=C/c1ccccc1- InChIKey
OHHIVLJVBNCSHV-MDZDMXLPSA-N- 분자식
- C13H16O2
- 평균 분자량
- 204.26 g/mol
- 단동위원소 질량
- 204.11502975
개요
Butyl cinnamate is a cinnamate ester.
이름 및 식별자
- 우선 이름
- Butyl Cinnamate
- IUPAC
- butyl (E)-3-phenylprop-2-enoate
- 영어명
- n-Butyl cinnamate
- 분자식
- C13H16O2
- 분자량
- 204.26
이름 및 동의어
BUTYL CINNAMATEn-Butyl cinnamateEliminoxybutyl (E)-3-phenylprop-2-enoateCinnamic acid, butyl estern-Butyl phenylacrylateCinnamic acid n-butyl esterButyl 3-phenyl-2-propenoateButyl phenylacrylateCinnamic acid butyl esterCinnamate de n-butyleButyl 3-phenylpropenoate
이름 더 보기
Butylcinnamatcinnamateden-butyleButyl trans-cinnamaten-butylphenylacrylateButyl benzeneacrylatecinnamicacid,butylester
Butyl-beta-phenylacrylateFEMA No. 2192NSC 719662-Propenoic acid, 3-phenyl-, butyl esterCinnamate de n-butyle [French]EINECS 208-699-6BRN 2328067UNII-05Q793M6Z5
데이터베이스 식별자
- CAS
538-65-8- PubChem CID
- 5273465
- ChEMBL
CHEMBL1911049- ChEBI
CHEBI:192913- UNII
- 05Q793M6Z5
- EC Number
- 208-699-6
- Nikkaji
- J106.761C、J184.150E
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 203
실험 및 물리화학적 성질
SpringerMaterials PropertiesOptical coefficient
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.008-1.014
Flavoring AgentsEU Flavoring substances
Solubility
slightly soluble to insoluble in water
miscible (in ethanol)
Boiling Point287 °C
Refractive Index1.539-1.545
Physical DescriptionColourless, oily, somewhat viscous liquid, sweet, oily, balsamic, fruity odour
물리화학적 성질
- 끓는 점
- 143 · 143-144°C 12mm
- 밀도
- 1 · 1,028 g/cm3
- 굴절률
- 1.542 · 1.5420
- FEMA
- 2192 · 2192 | BUTYL CINNAMATE
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 87.9% (233 of 265) of all reports.
Warning
H315 (12.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 265 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 2-Propenoic acid, 3-phenyl-, butyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Propenoic acid, 3-phenyl-, butyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Propenoic acid, 3-phenyl-, butyl ester: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (12.1%)
안전 데이터
- wgk
- WGK 2
- tsca
- TSCA listed
- rtecs
- GD8425000
- HS 번호
- 2916399000
- risk_code
- 36/38
- safety_code
- 26-36
- 기존화학 물질
- KE-28425
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
Use Classification
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information2-Propenoic acid, 3-phenyl-, butyl ester: ACTIVE
응용 분야
용도It is used in fragrances.
제조 방법
생산 방법Butyl cinnamate is produced by the direct esterification of n-butanol with cinnamic acid under azeotropic conditions.
상·하류 제품 정보
상류 원료
공급사
불러오는 중…
공개 문의
불러오는 중…
관련 반응
2건
화합물 노트
불러오는 중…