Phenol, 4-hexyl-


Chemical Name: Phenol, 4-hexyl-
CAS Number: 2446-69-7
Product Number: AG003LUA(AGN-PC-0JKDA7)
Synonyms:
MDL No:
Molecular Formula: C12H18O
Molecular Weight: 178.2707

Identification/Properties


Properties
MP:
32 °C
BP:
270.52°C (rough estimate)
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.5091 (estimate)
Computed Properties
Molecular Weight:
178.275g/mol
XLogP3:
4.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
5
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:
114
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#:
2430
Hazard Statements:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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