2-Benzylphenol


Chemical Name: 2-Benzylphenol
CAS Number: 28994-41-4
Product Number: AG00BBSQ(AGN-PC-0WA66K)
Synonyms:
MDL No:
Molecular Formula: C13H12O
Molecular Weight: 184.23378

Identification/Properties


Properties
MP:
49-51 °C(lit.)
BP:
309.2°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
nD20 1.59945
Solubility:
practically insoluble
Computed Properties
Molecular Weight:
184.238g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
184.089g/mol
Monoisotopic Mass:
184.089g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
161
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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