4-펜티노익산

4-Pentenoic acid

HCID 61138CAS 591-80-0
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
C=CCCC(=O)O
InChIKey
HVAMZGADVCBITI-UHFFFAOYSA-N
분자식
C5H8O2
평균 분자량
100.12 g/mol
단동위원소 질량
100.0524295

개요

Pent-4-enoic acid is a pentenoic acid having the double bond at position 4. It is a conjugate acid of a pent-4-enoate.

이름 및 식별자

우선 이름
4-Pentenoic acid
IUPAC
pent-4-enoic acid
현지명
4-펜티노익산
영어명
Allylacetic acid
분자식
C5H8O2
분자량
100.12

이름 및 동의어

4-PENTENOIC ACIDPent-4-enoic acid591-80-0Allylacetic acidAllyl acetic acidFEMA No. 2843DTXSID0044448D4S77Y29FBCHEBI:35936NSC-9000NSC-20944DTXCID8024448
이름 더 보기
4-PENTYNOIC ACIDFEMA 2843PROPARGYLACETIC ACID4-PentensαurePENT-4-ENOATEAUYLACETICACIDAnulacetic acid
RefChem:526248209-732-73-Vinylpropionic acid4 PAMFCD00004408Allylessigsaeure4-Pentensaeure4-pentenic acid

데이터베이스 식별자

CAS
591-80-0
PubChem CID
61138
DTXSID
DTXSID0044448
ChEMBL
CHEMBL3185583
ChEBI
CHEBI:35936
UNII
D4S77Y29FB
EC Number
209-732-7
Nikkaji
J53.731D

물성

구조 계산 물성

XLogP
0.8
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
3
무거운 원자 수
7

실험 및 물리화학적 성질

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
SpringerMaterials PropertiesBoiling point
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.970-0.990 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility · 2건

slightly soluble in water; soluble in alcohol and ether

(in ethanol)

물리화학적 성질

녹는점
-22.5 °C · -22.5 °C (lit.)
끓는 점
83 · 83-84 °C/12 mmHg (lit.)
밀도
0.981 g/mL · 0.981 g/mL at 25 °C (lit.)
증기 밀도
1 · >1 (vs air)
굴절률
20 · n20/D 1.428(lit.)
FEMA
2843 · 2843 | 4-PENTENOIC ACID

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1551 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: 4-Pentenoic acid

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

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
SC4751000
ridadr
UN 3261 8/PG 2
독성
LD50 oral in rat: 470mg/kg
HS 번호
29161980

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: ACTIVE

응용 분야

용도Sulfonation yields the corresponding γ-lactone.1

일반 설명4-Pentenoic acid is a volatile acid reported to be found in tobacco.

제조 방법

By decarboxylation via heating allylmalonic acid; from the corresponding ethyl ester prepared by boiling ethyl 4-chloron- valerate in quinoline.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

추가 설명

정의ChEBI: A pentenoic acid having the double bond at position 4.

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93건
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