2-ethylphenol


Chemical Name: 2-ethylphenol
CAS Number: 90-00-6
Product Number: AG00IFXV(AGN-PC-0BTOX2)
Synonyms:
MDL No:
Molecular Formula: C8H9O
Molecular Weight: 121.15646

Identification/Properties


Properties
MP:
-18 °C(lit.)
BP:
195-197°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.536(lit.)
Computed Properties
Molecular Weight:
122.167g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
122.073g/mol
Monoisotopic Mass:
122.073g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
80.6
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:
Danger
UN#:
3145
Hazard Statements:
H227-H302-H315-H318-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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