Cyclohept-4-en-1-one

HCID 549335CAS 19686-79-4

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Basic information

Standard SMILES: O=C1CCC=CCC1
InChIKey: XHRNQDMNINGCES-UHFFFAOYSA-N
Molecular formula: C7H10O
Average molar mass: 110.15 g/mol
Monoisotopic mass: 110.07316494

Names & identifiers

Preferred name: Cyclohept-4-en-1-one
IUPAC: cyclohept-4-en-1-one
English name: Cycloheptene-5-one
Molecular formula: C7H10O
Molecular weight: 110.15

Names & synonyms

cyclohept-4-en-1-oneRefChem:580316810-348-2CYCLOHEPTEN-5-ONE19686-79-4Cycloheptene-5-oneCyclohept-4-enone4-Cyclohepten-1-one4-cycloheptenone(Z)-cyclohept-4-enone4-Cyclohepten-1-one #SCHEMBL458291

Show more names

TB-2106

DTXSID90338485AKOS006285489DB-008557EN300-91923

Database identifiers

CAS: 19686-79-4
PubChem CID: 549335
DTXSID: DTXSID90338485
EC Number: 810-348-2
Nikkaji: J82.886F

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 102

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H302-H315
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H227 (10%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 20 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 4 (10%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H302-H315
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P