2-Pentenal, 4-methyl-

HCID 21458
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Basic information

CAS
5362-56-1
Standard SMILES
CC(C)C=CC=O
InChIKey
RIWPMNBTULNXOH-UHFFFAOYSA-N
Molecular formula
C6H10O
Average molar mass
98.14 g/mol
Monoisotopic mass
98.07316494

Overview

2-Pentenal, 4-methyl- has been reported in Plectranthus glabratus with data available.

Names & identifiers

Preferred name
2-Pentenal, 4-methyl-
IUPAC
4-methylpent-2-enal

Names & synonyms

5362-56-12-Pentenal, 4-methyl-DTXSID0063816RefChem:1064100DTXCID00414824-Methylpent-2-enal4-methylpentenal4-methyl-pent-2-enalSCHEMBL258950SCHEMBL2162384SCHEMBL17581088AKOS017391035
Show more names
NS00022324

Database identifiers

CAS
5362-56-1
PubChem CID
21458
DTXSID
DTXSID0063816
EC Number
226-348-5

Properties

Computed structural propertiesFilling in

XLogP
1.3
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
7

Experimental & physicochemical properties

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.858-0.866
Flavoring AgentsEU Flavoring substances
Solubility · 2 items

Slightly soluble in water; soluble in fats

soluble (in ethanol)

Boiling Point126-130 °C
Refractive Index1.435-1.445

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 85.7% (78 of 91) of all reports.

Warning

H226 (14.3%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P319, P321, P332+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 91 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: 2-Pentenal, 4-methyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

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

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesFlam. Liq. 3 (14.3%)

Chemistry & industry

Uses & manufacturing

Use ClassificationFlavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2-Pentenal, 4-methyl-: INACTIVE

Related reactions

5 records
New reaction record

Compound notes

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