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3 5-Dibenzyloxyacetophenone 98%

CAT: 0286-D08630-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0286-D08630-01Size:10 g
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CAS Number
28924-21-2
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00004777
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
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

Ethanone, 1-(3,5-bis(phenylmethoxy)phenyl)-
CAS Number28924-21-2
PubChem CID120098
IUPAC Name1-[3,5-bis(phenylmethoxy)phenyl]ethanone
Molecular FormulaC22H20O3
Molecular Weight332.4
XLogP4.5
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity366
SMILES
CC(=O)C1=CC(=CC(=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C22H20O3/c1-17(23)20-12-21(24-15-18-8-4-2-5-9-18)14-22(13-20)25-16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3
InChIKey
KOJXGMJOTRYLBD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethanone, 1-(3,5-bis(phenylmethoxy)phenyl)-
CAS: 28924-21-2
CID: 120098
Formula: C22H20O3
MW: 332.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight332.4
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass332.14124450
Monoisotopic Mass332.14124450
Topological Polar Surface Area35.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity366
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