2-Methyl-2-pentenal

HCID 12177

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Grundinformationen

CAS: 623-36-9
Standard-SMILES: CCC=C(C)C=O
InChIKey: IDEYZABHVQLHAF-UHFFFAOYSA-N
Summenformel: C6H10O
Durchschnittliche Molmasse: 98,14 g/mol
Monoisotopische Masse: 98,07316494

Überblick

2-Methyl-2-pentenal has been reported in Zea mays, Opuntia ficus-indica, and other organisms with data available.

Namen und Bezeichner

Bevorzugter Name: 2-Methyl-2-pentenal
IUPAC: 2-methylpent-2-enal

Namen und Synonyme

2-Methylpent-2-enal2-Pentenal, 2-methyl-DTXSID3052301alpha-Methyl-beta-ethylacroleinbeta-Ethyl-alpha-methylacroleinFEMA No. 3194DTXCID0030873947O3MC76MNSC-9464RefChem:910041210-789-52-Methyl-2-pentenal

Weitere Namen anzeigen

623-36-92-methyl-pent-2-enal2-Methyl-2-penten-1-al2-methyl 2-pentenalSCHEMBL191299orb2893647SCHEMBL2164382SCHEMBL17581105

Datenbank-Bezeichner

CAS: 623-36-9
PubChem CID: 12177
DTXSID: DTXSID3052301
EC Number: 210-789-5

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP: 1,4
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 7
Formalladung: 0
Komplexität: 82,2

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesDensity

FragrancesFragrance Ingredient (2-Methyl-2-pentenal) -> IFRA transparency List

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density0.855-0.865

Flavoring AgentsEU Flavoring substances

Solubility · 2 Einträge

Insoluble in water; soluble in ether, benzene, methanol

soluble (in ethanol)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P272, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1582 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: 2-Pentenal, 2-methyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

Status: Active Update: 08-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19108

2-Pentenal, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Chemie und Industrie

Verwendung und Herstellung

IFRA Fragrance Standards · 6 Einträge

2-Methyl-2-pentenal

2-Methyl-2-pentenal; 2-Methylpent-2-enal; 2-Pentenal, 2-methyl-; 2,4-Dimethylcrotonaldehyde; Î±-Methyl-Î²-ethylacrolein; alpha-Methyl-beta-ethylacrolein

IFRA_STD_228.pdf

IFRA 51st Amendment - Guidance for the use of IFRA Standards

Restriction: This material should be used only in the limited quantity as stated in the Standard

Use Classification · 3 Einträge

Fragrance Ingredients

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information2-Pentenal, 2-methyl-: ACTIVE

Restriction Limits in the Finished Product (%) · 6 Einträge

0.0014 [Products applied to the lips]

0.00041 [Products applied to the axillae]

0.0083 [Products applied to the face/body using fingertips]