기본 정보
- CAS
818-57-5- 표준 SMILES
C=CCCC(=O)OC- InChIKey
SHCSFZHSNSGTOP-UHFFFAOYSA-N- 분자식
- C6H10O2
- 평균 분자량
- 114.14 g/mol
- 단동위원소 질량
- 114.06807956
개요
Methyl 4-pentenoate is a fatty acid methyl ester.
이름 및 식별자
- 우선 이름
- Methyl 4-pentenoate
- IUPAC
- methyl pent-4-enoate
- 현지명
- 메틸4-PENTENOATE
- 영어명
- Methyl 4-pentenoate
- 분자식
- C6H10O2
- 분자량
- 114.14
이름 및 동의어
methyl pent-4-enoateMethyl 4-pentenoate818-57-5Methyl allylacetate4-Pentenoic acid, methyl esterAllylacetic acid methyl esterMethyl 4-pentenoate [FHFI]FEMA No. 4353UNII-G48IPZ8O71G48IPZ8O71DTXSID60231373RefChem:157648
이름 더 보기
메틸4-PENTENOATESKL511Methyl 4-pentenoate >=95.0% (GC)4-Pentenoic acid methyl ester, Allylacetic acid methyl ester, Methyl allylacetate
DTXCID60153864627-166-2InChI=1/C6H10O2/c1-3-4-5-6(7)8-2/h3H,1,4-5H2,2HSHCSFZHSNSGTOP-UHFFFAOYSA-N4-Pentenoic acid methyl esterMFCD03990590SCHEMBL13123544LMFA07010954
데이터베이스 식별자
- CAS
818-57-5- PubChem CID
- 543664
- DTXSID
DTXSID60231373- ChEBI
CHEBI:173394- UNII
- G48IPZ8O71
- EC Number
- 627-166-2
- Nikkaji
- J436.466J
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 86.5
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.882-0.890
Solubility
Insoluble in water; soluble in propylene glycol
Soluble (in ethanol)
Boiling Point
125.00 to 127.00 °C. @ 760.00 mm Hg
125-127 °C
Refractive Index1.412-1.418
Physical DescriptionColourless liquid; Green fruity aroma
물리화학적 성질
- 끓는 점
- 125 · 125-126 °C
- 밀도
- 0.904 · 0.904±0.06 g/cm3(Predicted)
- 굴절률
- 20 · n20/D 1.415
- FEMA
- 4353 · 4353 | METHYL 4-PENTENOATE
- 인화점
- 29 °C · 29 °C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H226 (97.6%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesFlam. Liq. 3 (97.6%)
안전 데이터
- wgk
- 3
- ridadr
- UN 3272 3/PG 3
- HS 번호
- 2916199590
- risk_code
- 10-36
- hazard_code
- Xi
- safety_code
- 26
- 위험 등급
- 3
- F 고인화성물질
- 10-23
- Hazard Classifications
- Eye Irrit. 2Flam. 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
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
응용 분야
일반 설명Methyl 4-pentenoate is an unsaturated methyl ester that is prepared by the esterification of 1-pentenoic acid with methanol. It undergoes amidation with formamide via acetone-initiated photochemical reaction to form a 1:1 adduct. The metathesis of methyl 4-pentenoate with different Mo(VI)alkylidene complexes have been reported. It acts as a chain transfer agent during the polymerization of exo,exo-5,6-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene using RuII(H20)6(tos)2 (tos =p-toluenesulfonate) as a catalyst.
상·하류 제품 정보
상류 원료
하류 제품
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