기본 정보
- CAS
53399-81-8- 표준 SMILES
C=CCC(C)C(=O)OCC- InChIKey
BDBGKYIBDXAVMX-UHFFFAOYSA-N- 분자식
- C8H14O2
- 평균 분자량
- 142.2 g/mol
- 단동위원소 질량
- 142.09937969
개요
Ethyl 2-methyl-4-pentenoate is a fatty acid ester.
이름 및 식별자
- 우선 이름
- Ethyl 2-methyl-4-pentenoate
- IUPAC
- ethyl 2-methylpent-4-enoate
- 현지명
- 에틸 2-메틸-4-펜테노산염
- 영어명
- Ethyl 2-methyl-4-pentenoate
- 분자식
- C8H14O2
- 분자량
- 142.2
이름 및 동의어
Ethyl 2-methyl-4-pentenoate53399-81-82-Methyl-4-pentenoic Acid Ethyl Ester4-Pentenoic acid, 2-methyl-, ethyl esterEthyl 2-methylpent-4-en-1-oateFEMA No. 3489UNII-F7GX41R904F7GX41R904EINECS 258-520-0DTXSID00866320ETHYL 2-METHYL-4-PENTENOATE [FHFI]RefChem:138619
이름 더 보기
에틸2-메틸-4-펜테노산염에틸2-메틸-4-펜테노산염(ETHYL2-METHYL-4-PENTENOATE)FEMA 3489pineapple pentenoateEthyl2-Methyl-4-pentenoate>ethyl 2-methylpent-4-en-1-oate2-methyl-4-pentenoicaciethylesterEthyl-2-Methyl-4-Pentanoate EsterETHYL 2-METHYL-4-PENTENOATE 98+%4-Pentenoicacid,2-methyl-,ethylester
DTXCID10814615Ethyl 2-methylpent-4-enoateEthyl 2-methyl 4-pentenoateMFCD00010235Ethyl 2-methyl-4-pentanoate2-Methyl-4-pentenoic Acid Ethyl Ester;SCHEMBL356446SCHEMBL8971224
데이터베이스 식별자
- CAS
53399-81-8
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 118
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.891
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water, soluble in alcohol and fixed oils
(in ethanol)
Boiling Point
153.00 to 155.00 °C. @ 760.00 mm Hg
153-155 °C
Refractive Index1.415-1.421
물리화학적 성질
- 녹는점
- -65.52 °C · -65.52°C (estimate)
- 끓는 점
- 153 · 153-155 °C (lit.)
- 밀도
- 0.873 g/mL · 0.873 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.417(lit.)
- FEMA
- 3489 · 3489 | ETHYL 2-METHYL-4-PENTENOATE
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1446 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 4-Pentenoic acid, 2-methyl-, ethyl ester
4-Pentenoic acid, 2-methyl-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 4-Pentenoic acid, 2-methyl-, ethyl ester: Environment tier I assessment
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3272 3/PG 3
- HS 번호
- 29161900
- risk_code
- 10
- hazard_code
- Xi
- safety_code
- 16
- 포장분류
- III
- 위험 등급
- 3
- 기존화학 물질
- KE-24746
- 위험 참고 사항
- Irritant
- Hazard Classifications
- Flam. Liq. 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information4-Pentenoic acid, 2-methyl-, ethyl ester: ACTIVE
상·하류 제품 정보
상류 원료
하류 제품
공급사49 곳
관련 반응
9건
화합물 노트
불러오는 중…