2-Pentenal

HCID 12993CAS 1576-87-0

Substructure search Find similar structures

Basic information

Standard SMILES: CCC=CC=O
InChIKey: DTCCTIQRPGSLPT-UHFFFAOYSA-N
Molecular formula: C5H8O
Average molar mass: 84.12 g/mol
Monoisotopic mass: 84.05751488

Overview

2-Pentenal has been reported in Medicago sativa with data available.

Names & identifiers

Preferred name: 2-Pentenal
IUPAC: pent-2-enal

Names & synonyms

pent-2-enal2-PENTENAL764-39-6DTXSID9061091CHEBI:61722RefChem:910193DTXCID5047877212-120-23-Ethyl-2-propenal3-Ethylacroleingamma-Methylcrotonaldehydealpha-pentenal

Show more names

n-pentenalEpitope ID:143636SCHEMBL262486SCHEMBL262487SCHEMBL7575000SCHEMBL11427575SCHEMBL16837108SCHEMBL16837110

Database identifiers

CAS: 1576-87-0、764-39-6
PubChem CID: 12993
DTXSID: DTXSID9061091
EC Number: 212-120-2

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 6
Formal charge: 0
Complexity: 55

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Aldehydes

FragrancesFragrance Ingredient (2-Pentenal) -> IFRA transparency List

Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density0.850-0.856 (21 °C)

Flavoring AgentsEU Flavoring substances

Solubility · 2 items

Insoluble in water; soluble in PG, in most fixed oils

Soluble (in ethanol)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (98.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P316, P321, P330, P333+P317, P337+P317, P361+P364, P362+P364, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1552 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: 2-Pentenal

Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

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

Hazards SummaryMay cause irritation; Use chemically protective gloves and goggles or face shield. Respiratory protection may be necessary, especially if working area not well ventilated; [MSDSonline]

Hazard Classes and CategoriesFlam. Liq. 2 (98.5%)