Ethyl 4-pentenoate (HCID 74786)

개요

Ethyl 4-pentenoate is a fatty acid ester.

이름 및 식별자

우선 이름: Ethyl 4-pentenoate
IUPAC: ethyl pent-4-enoate
현지명: 에틸4-펜텐에이트
영어명: ETHYL 4-PENTENOATE
분자식: C7H12O2
분자량: 128.17

이름 및 동의어

Ethyl 4-pentenoateEthyl pent-4-enoate4-Pentenoic acid ethyl ester4-Pentenoic acid, ethyl ester4-Ethoxycarbonylbut-1-eneEthyl pent-4-en-1-oateUNII-210UM0F8JP210UM0F8JPFEMA NO. 4360EINECS 217-818-0AI3-37200DTXSID7062089

이름 더 보기

에틸4-펜텐에이트Pent-4-enoic aciethyl allylacetateRARECHEM AL BI 1502Ethyl4-Pentenoate>ethyl pent-4-en-1-oateEthyl 4-pentenoate, 98+%Ethyl pent-4-enoate, 98+%

PTVSRINJXWDIKP-UHFFFAOYSA-ETHYL 4-PENTENOATE [FHFI]RefChem:138791DTXCID0036136InChI=1/C7H12O2/c1-3-5-6-7(8)9-4-2/h3H,1,4-6H2,2H3PTVSRINJXWDIKP-UHFFFAOYSA-N1968-40-7MFCD00036562

데이터베이스 식별자

CAS: 1968-40-7
PubChem CID: 74786
DTXSID: DTXSID7062089
ChEBI: CHEBI:173494
UNII: 210UM0F8JP
EC Number: 217-818-0
Nikkaji: J199.790D

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 5
무거운 원자 수: 9
형식 전하: 0
복잡도: 97.1

실험 및 물리화학적 성질

LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]

SpringerMaterials PropertiesChemical shift

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density0.893-0.903

Solubility · 2건

Insoluble in water; soluble in propylene glycol

Soluble (in ethanol)

Boiling Point143-145 °C

물리화학적 성질

끓는 점: 40 °C · 40°C 25mm
밀도: 0 · 0,9 g/cm3
굴절률: 1.417 · 1.4170
FEMA: 4360 · 4360 | ETHYL 4-PENTENOATE
인화점: 37 °C · 37°C
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
냄새: 100 %에서 · 100.00%에서. 따뜻한 그린 허브 과일 카라멜
냄새 유형: 미묘한
수용성: 알코올과 섞임. 물과 섞이지 않습니다.
JECFA Number: 1618 · 1618
BRN: 1751643 · 1751643
LogP: 1.99 · 1.99
EPA: 4 · 4-Pentenoic acid, ethyl ester (1968-40-7)

화학적 성질

Colorless liquid; green fruity aroma.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (83.3%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P303+P361+P353, P305+P351+P338, P330, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: 4-Pentenoic acid, ethyl ester

4-Pentenoic acid, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (83.3%)

안전 데이터

tsca: TSCA listed
ridadr: 3272
HS 번호: 29153900
risk_code: 10-36
safety_code: 16-26-60-43-33-7
포장분류: III
위험 등급: 3
기존화학 물질: KE-14022

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Use Classification · 3건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information4-Pentenoic acid, ethyl ester: ACTIVE

응용 분야

용도Ethyl 4-pentenoate is found in leaf oil of Prunus phaeosticta phaeosticta from Taiwan. It is also used in the preparation of 5-iodomethyl-dihydro-furan-2-one by reacting with iodine.