p-Benzyloxypropiophenone

HCID 78246

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Basic information

CAS: 4495-66-3
Standard SMILES: CCC(=O)c1ccc(OCc2ccccc2)cc1
InChIKey: IKFGSOJYHVTNDV-UHFFFAOYSA-N
Molecular formula: C16H16O2
Average molar mass: 240.3 g/mol
Monoisotopic mass: 240.11502975

Names & identifiers

Preferred name: p-Benzyloxypropiophenone
IUPAC: 1-(4-phenylmethoxyphenyl)propan-1-one
English name: 4-Benzyloxypropiophenone
Molecular formula: C16H16O2
Molecular weight: 240.3

Names & synonyms

p-BenzyloxypropiophenoneEINECS 224-788-2DTXSID70196343NSC 41188RefChem:857997DTXCID80118834224-788-24-Benzyloxypropiophenone4495-66-31-(4-(benzyloxy)phenyl)propan-1-one1-[4-(Benzyloxy)phenyl]propan-1-one4'-Benzyloxypropiophenone

Show more names

p-BenzyloxypropiophenonDabigatran Impurity 1264’-(Benzyloxy)propiophenone4-Benzyloxyphenylethylketone4-Benzyloxypropiophenone 98%4-Benzyloxypropiophenone,96%4'-Benzyloxypropiophenone,99%

1-(4-phenylmethoxyphenyl)propan-1-one4'-(benzyloxy)propiophenone1-[4-(Phenylmethoxy)phenyl]-1-propanone1-Propanone, 1-[4-(phenylmethoxy)phenyl]-4-benzyloxy propiophenone1-(4-benzyloxyphenyl)propan-1-oneMFCD000093114'-(benzyloxy)-Propiophenone

Database identifiers

CAS: 4495-66-3
PubChem CID: 78246
DTXSID: DTXSID70196343
UNII: 3AE8SS5B76
EC Number: 224-788-2、922-441-6
Nikkaji: J32.010B

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 248

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point: 99 · 99-102 °C
Boiling point: 343.02 °C · 343.02°C (rough estimate)
Density: 1.0752 · 1.0752 (rough estimate)
refractive index: 1.6 · 1.6000 (estimate)
storage temp.: 2 · Storage temp. 2-8°C
solubility: soluble in Dichloromethane, Ehtyl Acetate, Methanol
form: Powder
color: White
BRN: 2271608 · 2271608
LogP: 3.93 · 3.930 (est)
CAS DataBase Reference: 4495 · 4495-66-3(CAS DataBase Reference)
FDA UNII: 3 AE8SS5B76 · 3AE8SS5B76
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety Statements: 24 · 24/25
HS Code: 2914500090 · 2914500090