Cyclopent-3-en-1-one

HCID 84351

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Basic information

CAS: 14320-37-7
Standard SMILES: O=C1CC=CC1
InChIKey: KQAVUGAZLAPNJY-UHFFFAOYSA-N
Molecular formula: C5H6O
Average molar mass: 82.1 g/mol
Monoisotopic mass: 82.04186481

Names & identifiers

Preferred name: Cyclopent-3-en-1-one
IUPAC: cyclopent-3-en-1-one
English name: 3-Cyclopenten-1-one
Molecular formula: C5H6O
Molecular weight: 82.1

Names & synonyms

3-Cyclopenten-1-one14320-37-7Cyclopent-3-en-1-oneEINECS 238-264-6DTXSID90162343RefChem:580915DTXCID2084834238-264-6cyclopent-3-enone3-cyclopentenone3-cyclopentene-1-oneMFCD00798187

Show more names

3-Cyclopenten-1-one (6CI, 7CI, 8CI, 9CI, ACI)

Cyclopentene-4-oneSCHEMBL52489SCHEMBL7468858SCHEMBL168371063-Cyclopenten-1-one, AldrichCPRAKOS006344948FC138819SY029009

Database identifiers

CAS: 14320-37-7
PubChem CID: 84351
DTXSID: DTXSID90162343
EC Number: 238-264-6
Nikkaji: J150.744C

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 6
Formal charge: 0
Complexity: 82.1

Experimental & physicochemical properties

SpringerMaterials PropertiesSchoenflies notation

Physicochemical properties

Melting point: 65.3 · 65.3-65.6 °C(Solv: ligroine (8032-32-4))
Boiling point: 133 · 133-135 °C
Density: 0.9821 g/cm3 · 0.9821 g/cm3
form: liquid
color: Clear, pale yellow
InChI: 1S/C5H6O/c6-5-3-1-2-4-5/h1-2H,3-4H2
InChIKey: KQAVUGAZLAPNJY-UHFFFAOYSA-N
SMILES: O=C1CC=CC1
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 225 · H225-H315-H319-H335
Precautionary statements: 210 · P210-P261-P280
Hazard Codes: Xi
Risk Statements: 10 · 10-36
Safety Statements: 16 · 16-26-36
RIDADR: 1993 · 1993
WGK Germany: 3 · WGK 3
HS Code: 2902900000 · 2902900000
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 · Eye Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (66.7%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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 6 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.