ビニルエチルケトン

1-Penten-3-one

HCID 15394CAS 1629-58-9
部分構造検索類似構造を探す

基本情報

標準SMILES
C=CC(=O)CC
InChIKey
JLIDVCMBCGBIEY-UHFFFAOYSA-N
分子式
C5H8O
平均分子量
84.12 g/mol
単同位体質量
84.05751488

概要

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.

名称と識別子

優先名称
1-Penten-3-one
IUPAC
pent-1-en-3-one
現地名
ビニルエチルケトン
英語名
Ethyl vinyl ketone
分子式
C5H8O
分子量
84.12

名称と別名

ETHYL VINYL KETONE1-Penten-3-one1629-58-9Pent-1-en-3-one1-Pentene-3-oneEthylvinyl ketoneethylvinylketone4-penten-3-oneFEMA No. 3382DTXSID5025318R0053Y1AZ7NSC-81211
名称をさらに表示
4-ペンテン-3-オンエテニルエチルケトン1-ペンテン-3-オンビニルエチルケトンエチルビニルケトンエチルビニルケトン, 97%, STAB.1-エチル-2-プロペン-1-アールペンタ-1-エン-3-オンEVKFEMA 33821-Penten-3-onEthenyl ethyl ketoneC2H5COCH=CH2-penten-3-one
DTXCID605318CHEBI:89945RefChem:76894216-624-3Ketone, ethyl vinylVinyl ethyl ketonepenten-3-oneMFCD00009316

データベース識別子

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

物性

構造計算による物性

XLogP
1
極性表面積
17.1 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
2
重原子数
6

実験および物理化学的性質

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

物理化学的性質

融点
59 · 59-61 °C
沸点
38 °C/60 · 38 °C/60 mmHg (lit.)
比重(密度)
0.851 g/mL · 0.851 g/mL at 20 °C 0.845 g/mL at 25 °C (lit.)
屈折率
20 · n20/D 1.419(lit.)
FEMA
3382 · 3382 | 1-PENTEN-3-ONE
闪点
20 °F · 20 °F

化学的性質

化学的特性clear colorless to amber liquid

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 3 件

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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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%)

安全データ

F
10-23
wgk
3
tsca
TSCA listed
rtecs
SB3800000
ridadr
UN 3286 3/PG 2
毒性
LD50 ivn-mus: 56 mg/kg CSLNX* NX#00948

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

Use Classification · 4 件

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
応用分野 · 3 件

天然物の起源Reported 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.

使用Ethyl vinyl ketone is used as reagent for annulation.

一般的な説明Ethyl vinyl ketone is a volatile flavor compound mainly found in tomatoes. It may be responsible for the raw bean odor and flavor in soybeans.

調製方法

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

上流・下流製品情報

サプライヤー50 社

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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