Ethyl-2-methylpent-4-en-1-oat

Ethyl 2-methyl-4-pentenoate

HCID 62024
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Grundinformationen

CAS
53399-81-8
Standard-SMILES
C=CCC(C)C(=O)OCC
InChIKey
BDBGKYIBDXAVMX-UHFFFAOYSA-N
Summenformel
C8H14O2
Durchschnittliche Molmasse
142,2 g/mol
Monoisotopische Masse
142,09937969

Überblick

Ethyl 2-methyl-4-pentenoate is a fatty acid ester.

Namen und Bezeichner

Bevorzugter Name
Ethyl 2-methyl-4-pentenoate
IUPAC
ethyl 2-methylpent-4-enoate
Lokaler Name
Ethyl-2-methylpent-4-en-1-oat
Englischer Name
Ethyl 2-methyl-4-pentenoate
Summenformel
C8H14O2
Molmasse
142.2

Namen und Synonyme

Ethyl 2-methyl-4-pentenoate53399-81-82-Methyl-4-pentenoic Acid Ethyl Ester4-Pentenoic acid, 2-methyl-, ethyl esterEthyl 2-methylpent-4-en-1-oateFEMA No. 3489UNII-F7GX41R904F7GX41R904EINECS 258-520-0DTXSID00866320ETHYL 2-METHYL-4-PENTENOATE [FHFI]RefChem:138619
Weitere Namen anzeigen
FEMA 3489pineapple pentenoateEthyl2-Methyl-4-pentenoate>ethyl 2-methylpent-4-en-1-oate2-methyl-4-pentenoicaciethylesterEthyl-2-Methyl-4-Pentanoate EsterETHYL 2-METHYL-4-PENTENOATE 98+%4-Pentenoicacid,2-methyl-,ethylester
DTXCID10814615Ethyl 2-methylpent-4-enoateEthyl 2-methyl 4-pentenoateMFCD00010235Ethyl 2-methyl-4-pentanoate2-Methyl-4-pentenoic Acid Ethyl Ester;SCHEMBL356446SCHEMBL8971224

Datenbank-Bezeichner

CAS
53399-81-8
PubChem CID
62024
DTXSID
DTXSID00866320
ChEBI
CHEBI:180289
UNII
F7GX41R904
EC Number
258-520-0
Nikkaji
J267.347I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,1
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
5
Schwere Atome
10

Experimentelle und physikochemische Eigenschaften

LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.891
Flavoring AgentsEU Flavoring substances
Solubility · 2 Einträge

insoluble in water, soluble in alcohol and fixed oils

(in ethanol)

Boiling Point · 2 Einträge

153.00 to 155.00 °C. @ 760.00 mm Hg

153-155 °C

Physikochemische Eigenschaften

Schmelzpunkt
-65.52 °C · -65.52°C (estimate)
Siedepunkt
153 · 153-155 °C (lit.)
Dichte
0.873 g/mL · 0.873 g/mL at 25 °C (lit.)
Brechungsindex
20 · n20/D 1.417(lit.)
FEMA
3489 · 3489 | ETHYL 2-METHYL-4-PENTENOATE
Flammpunkt
105 °F · 105 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning 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 1446 reports by companies from 2 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: 4-Pentenoic acid, 2-methyl-, ethyl ester

4-Pentenoic acid, 2-methyl-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 4-Pentenoic acid, 2-methyl-, ethyl ester: Environment tier I assessment
Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 3272 3/PG 3
hs_code
29161900
risk_code
10
hazard_code
Xi

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm

Verwendung und Herstellung

Use Classification · 2 Einträge

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information4-Pentenoic acid, 2-methyl-, ethyl ester: ACTIVE

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Anbieter49 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
巨野众悦香料有限公司0530-8599699 13701896116 · [email protected]

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