2-Cyclohexenone, 5,5-dimethyl-

HCID 138322

Notes Reactions

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Basic information

CAS: 4694-17-1
Standard SMILES: CC1(C)CC=CC(=O)C1
InChIKey: CDDGRARTNILYAB-UHFFFAOYSA-N
Molecular formula: C8H12O
Average molar mass: 124.18 g/mol
Monoisotopic mass: 124.088815

Names & identifiers

Preferred name: 2-Cyclohexenone, 5,5-dimethyl-
IUPAC: 5,5-dimethylcyclohex-2-en-1-one
English name: 5,5-dimethylcyclohex-2-en-1-one
Molecular formula: C8H12O
Molecular weight: 124.18

Names & synonyms

4694-17-15,5-dimethylcyclohex-2-en-1-one2-Cyclohexenone, 5,5-dimethyl-DTXSID80196990RefChem:470900DTXCID20119481973-614-85,5-Dimethylcyclohex-2-enone2-Cyclohexen-1-one, 5,5-dimethyl-MFCD00182488SCHEMBL233223SCHEMBL318228

Show more names

SKL1285,5-dimethyl-cyclohex-2-enone5,5-dimethylcyclo-hex-2-enone5,5-dimethylcyclohex-2-en-oneCDDGRARTNILYAB-UHFFFAOYSA-N5.5-Dimethylcyclohex-2-en-1-oneEAA694173,3-dimethyl-cyclohex-5-en-1-one

Database identifiers

CAS: 4694-17-1
PubChem CID: 138322
DTXSID: DTXSID80196990
EC Number: 973-614-8
Nikkaji: J313.402D

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 154

Physicochemical properties

Boiling point: 76 °C · 76 °C(Press: 16 Torr)
Density: 0.922 · 0.922±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H227 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.