4'-(tert-Butyl)propiophenone

HCID 595281

Notes Reactions

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Basic information

CAS: 71209-71-7
Standard SMILES: CCC(=O)c1ccc(C(C)(C)C)cc1
InChIKey: AQNYEAINONORRY-UHFFFAOYSA-N
Molecular formula: C13H18O
Average molar mass: 190.28 g/mol
Monoisotopic mass: 190.1357652

Names & identifiers

Preferred name: 4'-(tert-Butyl)propiophenone
IUPAC: 1-(4-tert-butylphenyl)propan-1-one
English name: 4'-tert-Butylpropiophenone
Molecular formula: C13H18O
Molecular weight: 190.28

Names & synonyms

71209-71-74'-(tert-Butyl)propiophenoneEINECS 275-265-01-[4-(1,1-Dimethylethyl)phenyl]-1-propanoneDTXSID502214051-(4-(1,1-Dimethylethyl)phenyl)-1-propanoneRefChem:505938DTXCID10143896275-265-04'-tert-Butylpropiophenone1-(4-tert-butylphenyl)propan-1-onebutylpropiophenone

Show more names

AKOS B000310BUTTPARK 97\11-96P-TERT-BUTYL PROPIOPHENONE4-TERT-BUTYLPROPIONYLBENZENE4'-tert-Butylpropiophenone>1-(4-tertbutylpheny)propan-1-one4''-TERT-BUTYLPROPIOPHENONE 95+%

MFCD001004344-TERT-BUTYLPROPIOPHENONEButylpropiophenone; 95%1-(4-(Tert-butyl)phenyl)propan-1-one1-[4-(tert-butyl)phenyl]propan-1-one1-Propanone, 1-[4-(1,1-dimethylethyl)phenyl]-1-(4-tert-butyl-phenyl)-propan-1-one1-Propanone,1-[4-(1,1-dimethylethyl)phenyl]-

Database identifiers

CAS: 71209-71-7
PubChem CID: 595281
DTXSID: DTXSID50221405
UNII: QUQ8K23G6T
EC Number: 275-265-0
Nikkaji: J308.753K

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 192

Experimental & physicochemical properties

SpringerMaterials PropertiesSound absorption

Physicochemical properties

Boiling point: 162 °C · 162 °C / 5mmHg
Density: 0.96 · 0.96
refractive index: 1.516 · 1.5160-1.5190
form: clear liquid
color: Colorless to Light orange to Yellow
CAS DataBase Reference: 71209 · 71209-71-7(CAS DataBase Reference)
Symbol(GHS): 2 · GHS02
Signal word: Warning
Hazard statements: 226 · H226
Precautionary statements: 210 · P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
Hazard Codes: Xi
RIDADR: 1993 · 1993
Hazard Note: Irritant
HS Code: 2914.39 · 2914.39.9000
HazardClass: 3 · 3
PackingGroup: III

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, 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.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

ridadr: 1993
hs_code: 2914.39.9000
Signal word: Warning
Symbol(GHS): GHS02
hazard_code: Xi
hazard_note: Irritant
hazard_class: 3
packing_group: III
Hazard statements: H226
Precautionary statements: P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501