1-(4-Cyclohexylphenyl)ethan-1-one

HCID 87715

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Basic information

CAS: 18594-05-3
Standard SMILES: CC(=O)c1ccc(C2CCCCC2)cc1
InChIKey: MSDQNIRGPBARGC-UHFFFAOYSA-N
Molecular formula: C14H18O
Average molar mass: 202.297 g/mol
Monoisotopic mass: 202.1357652

Names & identifiers

Preferred name: 1-(4-Cyclohexylphenyl)ethan-1-one
IUPAC: 1-(4-Cyclohexylphenyl)ethan-1-one
English name: 4'-CYCLOHEXYLACETOPHENONE
Molecular formula: C14H18O
Molecular weight: 202.29

Names & synonyms

CyclohexylacetophenoneLABOTEST-BB LT000001224-CYCLOHEXYLACETOPHENONE4'-Cyclohexylacetophenone4-cyclohexylbenzenethyloneP-cyclo hexanylacetophenone4'-Cyclohexylacetophenone >4'-Cyclohexylacetophenone 98%1-(4-Cyclohexylphenyl)ethanone4-CyclohexylacetophenonebyEMKA

Database identifiers

CAS: 18594-05-3
PubChem CID: 87715
DTXSID: DTXSID70171817
EC Number: 242-432-4
Nikkaji: J132.621J

Properties

Physicochemical properties

Melting point: 68 · 68-70 °C(lit.)
Boiling point: 179 · 179-181 °C14 mm Hg(lit.)
Density: 0.9655 · 0.9655 (rough estimate)
refractive index: 1.5397 · 1.5397 (estimate)
Flash point: 179 · 179-181°C/14mm
storage temp.: Inert atmosphere,Room Temperature
form: powder to crystal
color: White to Light yellow to Light orange
BRN: 1962365 · 1962365
InChI: 1S/C14H18O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3
InChIKey: MSDQNIRGPBARGC-UHFFFAOYSA-N
SMILES: CC(=O)c1ccc(cc1)C2CCCCC2
LogP: 4.18 · 4.180 (est)
CAS DataBase Reference: 18594 · 18594-05-3(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 29143900 · 29143900
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29143900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-37/39
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Applications

UsesAntimycobacterial activity of 4-cyclohexylacetophenone was studied. The tricarbonylchromium complexes of 4-cyclohexylacetophenone were prepared and spectral properties were studied.

General DescriptionAntimycobacterial activity of 4-cyclohexylacetophenone was studied. The tricarbonylchromium complexes of 4-cyclohexylacetophenone were prepared and spectral properties were studied.