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2-Hydroxydiphenylmethane

CAT: 0286-H11440-02Size: 100 gDry Ice: NoHazardous: No
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CAT#:0286-H11440-02Size:100 g
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CAS Number
28994-41-4
Synonyms
O-Benzylphenol; a-Phenyl-o-cresol
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00002242
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; 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; P321 Specific treatment (see … on this label) ; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P405 Store locked up.

Chemical Information

2-Benzylphenol

metabolite of diphenylmethane; structure in Merck Index, 9th ed, #1164

CAS Number28994-41-4
PubChem CID24216
IUPAC Name2-benzylphenol
Molecular FormulaC13H12O
Molecular Weight184.23
XLogP3.6
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity161
SMILES
C1=CC=C(C=C1)CC2=CC=CC=C2O
InChI
InChI=1S/C13H12O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKey
CDMGNVWZXRKJNS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Benzylphenol
CAS: 28994-41-4
CID: 24216
Formula: C13H12O
MW: 184.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.23
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass184.088815002
Monoisotopic Mass184.088815002
Topological Polar Surface Area20.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity161
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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