Phenol, 2-(1,1-dimethylethyl)-4-ethyl-


Chemical Name: Phenol, 2-(1,1-dimethylethyl)-4-ethyl-
CAS Number: 96-70-8
Product Number: AG003HXM(AGN-PC-0JK80Y)
Synonyms:
MDL No:
Molecular Formula: C12H18O
Molecular Weight: 178.2707

Identification/Properties


Properties
MP:
41-44 °C(lit.)
BP:
248.3°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
178.275g/mol
XLogP3:
4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
178.136g/mol
Monoisotopic Mass:
178.136g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
157
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


NMR Spectrum


Other Analytical Data


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