Ethylvinylketon

1-Penten-3-one

HCID 15394CAS 1629-58-9
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Grundinformationen

Standard-SMILES
C=CC(=O)CC
InChIKey
JLIDVCMBCGBIEY-UHFFFAOYSA-N
Summenformel
C5H8O
Durchschnittliche Molmasse
84,12 g/mol
Monoisotopische Masse
84,05751488

Überblick

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.

Namen und Bezeichner

Bevorzugter Name
1-Penten-3-one
IUPAC
pent-1-en-3-one
Lokaler Name
Ethylvinylketon
Englischer Name
Ethyl vinyl ketone
Summenformel
C5H8O
Molmasse
84.12

Namen und Synonyme

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
2
Schwere Atome
6

Experimentelle und physikochemische Eigenschaften

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

Physikochemische Eigenschaften

Schmelzpunkt
59 · 59-61 °C
Siedepunkt
38 °C/60 · 38 °C/60 mmHg (lit.)
Dichte
0.851 g/mL · 0.851 g/mL at 20 °C 0.845 g/mL at 25 °C (lit.)
Brechungsindex
20 · n20/D 1.419(lit.)
FEMA
3382 · 3382 | 1-PENTEN-3-ONE
Flammpunkt
20 °F · 20 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Regulatory Information · 3 Einträge

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%)

Sicherheitsdaten

F
10-23
wgk
3
tsca
TSCA listed
ridadr
UN 3286 3/PG 2
hs_code
29141900
RTECS-Nr.
SB3800000

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm

Verwendung und Herstellung

Use Classification · 4 Einträge

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
Anwendungen · 2 Einträge

OccurrenceReported 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.

VerwendenEthyl vinyl ketone is used as reagent for annulation.

Darstellung

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

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

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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