CAS 19780-25-7 2-Butenal, 2-ethyl- (HCID 5362897)

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Basic information

CAS: 19780-25-7
Standard SMILES: C/C=C(/C=O)CC
InChIKey: IQGZCSXWIRBTRW-ZZXKWVIFSA-N
Molecular formula: C6H10O
Average molar mass: 98.14 g/mol
Monoisotopic mass: 98.07316494

Overview

(2E)-2-ethyl-2-butenal is an aldehyde.

Names & identifiers

Preferred name: 2-Butenal, 2-ethyl-
IUPAC: (E)-2-ethylbut-2-enal
English name: 2-Ethyl-but-2-enal
Molecular formula: C6H10O
Molecular weight: 98.14

Names & synonyms

2-Ethylcrotonaldehyde19780-25-72-Butenal, 2-ethyl-2-Ethyl-2-butenal2-Ethyl crotonic aldehyde2-ethylbut-2-enalCROTONALDEHYDE, 2-ETHYL-BRN 1738001EINECS 243-299-53-01-00-03001 (Beilstein Handbook Reference)DTXSID40885095RefChem:467447

Show more names

trans-2-Ethylcrotonal2-Butenal, 2-ethyl-, (2E)-

DTXCID301024498243-299-5(E)-2-ethylbut-2-enal2-Ethyl-trans-2-butenal(2E)-2-Ethyl-2-butenal63883-69-2(E)-2-ethyl-2-butenal2-Ethyl-(E)-2-butenal

Database identifiers

CAS: 19780-25-7、63883-69-2
PubChem CID: 5362897
DTXSID: DTXSID801377632
ChEBI: CHEBI:141556
EC Number: 243-299-5
Nikkaji: J35.926B

Properties

Computed structural properties

XLogP: 1.4
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: 82.2

Physicochemical properties

RIDADR: 1993 · 1993
HazardClass: 3.2 · 3.2
PackingGroup: III

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.