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1 4-Dibenzyloxybenzene

CAT: 0286-D08650Size: 25 gDry Ice: NoHazardous: No
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CAT#:0286-D08650Size:25 g
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CAS Number
621-91-0
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00016875
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

Hydroquinone dibenzyl ether
CAS Number621-91-0
PubChem CID69315
IUPAC Name1,4-bis(phenylmethoxy)benzene
Molecular FormulaC20H18O2
Molecular Weight290.4
XLogP5.3
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity254
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C20H18O2/c1-3-7-17(8-4-1)15-21-19-11-13-20(14-12-19)22-16-18-9-5-2-6-10-18/h1-14H,15-16H2
InChIKey
DYULYMCXVSRUPB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroquinone dibenzyl ether
CAS: 621-91-0
CID: 69315
Formula: C20H18O2
MW: 290.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight290.4
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass290.130679813
Monoisotopic Mass290.130679813
Topological Polar Surface Area18.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity254
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

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