1-Penten-3-one

HCID 15394CAS 1629-58-9
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
C=CC(=O)CC
InChIKey
JLIDVCMBCGBIEY-UHFFFAOYSA-N
분자식
C5H8O
평균 분자량
84.12 g/mol
단동위원소 질량
84.05751488

개요

1-penten-3-one is an enone that is pent-1-ene substituted by an oxo group at position 3. It has a role as a flavouring agent, a genotoxin, a plant metabolite and a human metabolite.

이름 및 식별자

우선 이름
1-Penten-3-one
IUPAC
pent-1-en-3-one
영어명
Ethyl vinyl ketone
분자식
C5H8O
분자량
84.12

이름 및 동의어

ETHYL VINYL KETONE1-Penten-3-one1629-58-9Pent-1-en-3-one1-Pentene-3-oneEthylvinyl ketoneethylvinylketone4-penten-3-oneFEMA No. 3382DTXSID5025318R0053Y1AZ7NSC-81211
이름 더 보기
EVKFEMA 33821-Penten-3-onEthenyl ethyl ketoneC2H5COCH=CH2-penten-3-one
DTXCID605318CHEBI:89945RefChem:76894216-624-3Ketone, ethyl vinylVinyl ethyl ketonepenten-3-oneMFCD00009316

데이터베이스 식별자

CAS
1629-58-9
PubChem CID
15394
DTXSID
DTXSID5025318
ChEMBL
CHEMBL1506228
ChEBI
CHEBI:89945
UNII
R0053Y1AZ7
EC Number
216-624-3
Nikkaji
J140F

물성

구조 계산 물성

XLogP
1
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
2
무거운 원자 수
6

실험 및 물리화학적 성질

LipidsFatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (1-Penten-3-one) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.842-0.848
Flavoring AgentsEU Flavoring substances

물리화학적 성질

녹는점
59 · 59-61 °C
끓는 점
38 °C/60 · 38 °C/60 mmHg (lit.)
밀도
0.851 g/mL · 0.851 g/mL at 20 °C 0.845 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.419(lit.)
FEMA
3382 · 3382 | 1-PENTEN-3-ONE
인화점
20 °F · 20 °F

화학적 성질

clear colorless to amber liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger 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 1577 reports by companies from 6 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: 1-Penten-3-one

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

1-Penten-3-one: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
SB3800000
ridadr
UN 3286 3/PG 2
독성
LD50 ivn-mus: 56 mg/kg CSLNX* NX#00948
HS 번호
29141900

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Use Classification · 4건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information1-Penten-3-one: ACTIVE
응용 분야 · 3건

출처Reported found in banana, orange peel oil, grapefruit juice and peel, peach, lean fish, fish oil, chicken fat, black tea, soybean, defatted soybean, lovage leaf, endive, chive, oysters, clam, boiled and cooked beef, kiwifruit, guava, grapes, tomato, butter and maté.

용도Ethyl vinyl ketone is used as reagent for annulation.

일반 설명Ethyl vinyl ketone is a volatile flavor compound mainly found in tomatoes. It may be responsible for the raw bean odor and flavor in soybeans.

제조 방법

By reacting ethylene with a mixture of propionyl chloride, aluminum trichloride and carbon disulfide.

상·하류 제품 정보

공급사50 곳

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei baicao biology science and technology co., ltd+86-19131911055 17824879454 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]

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