Hexa-2,4-dienal

HCID 8901CAS 142-83-6

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Basic information

Standard SMILES: CC=CC=CC=O
InChIKey: BATOPAZDIZEVQF-UHFFFAOYSA-N
Molecular formula: C6H8O
Average molar mass: 96.13 g/mol
Monoisotopic mass: 96.05751488

Overview

2,4-hexadienal has been reported in Medicago sativa and Cucumis sativus with data available.

Names & identifiers

Preferred name: Hexa-2,4-dienal
IUPAC: hexa-2,4-dienal

Names & synonyms

Hexa-2,4-dienalDTXSID20859279RefChem:785769DTXCID908097012,4-Hexadienal (mixture of isomers)(E,E)-2,4-Hexadien-1-al2,4-HexadienaldehydSCHEMBL226017CCRIS 5124orb3180007SCHEMBL1065858BATOPAZDIZEVQF-UHFFFAOYSA-N

Show more names

NSC 16184NSC 68096AKOS030228154SB85358SY464809DB-260378NS00008669

Database identifiers

CAS: 142-83-6、80466-34-8
PubChem CID: 8901
DTXSID: DTXSID20859279
EC Number: 205-564-3

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 7
Formal charge: 0
Complexity: 90.4

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (97.2%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P316, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1697 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.