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4-Benzyloxypropiophenone

CAT: 0286-B09020-02Size: 50 gDry Ice: NoHazardous: No
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CAT#:0286-B09020-02Size:50 g
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CAS Number
4495-66-3
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00009311
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
DOT Name
Not D.O.T.-Regulated
Precautions
P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

p-Benzyloxypropiophenone
CAS Number4495-66-3
PubChem CID78246
IUPAC Name1-(4-phenylmethoxyphenyl)propan-1-one
Molecular FormulaC16H16O2
Molecular Weight240.30
XLogP3.9
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity248
SMILES
CCC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2
InChI
InChI=1S/C16H16O2/c1-2-16(17)14-8-10-15(11-9-14)18-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKey
IKFGSOJYHVTNDV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of p-Benzyloxypropiophenone
CAS: 4495-66-3
CID: 78246
Formula: C16H16O2
MW: 240.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight240.30
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass240.115029749
Monoisotopic Mass240.115029749
Topological Polar Surface Area26.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity248
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes