2,2-Dimethylhexanoic Acid


Chemical Name: 2,2-Dimethylhexanoic Acid
CAS Number: 813-72-9
Product Number: AG005322(AGN-PC-0WAJH7)
Synonyms:
MDL No:
Molecular Formula: C8H16O2
Molecular Weight: 144.2114

Identification/Properties


Properties
MP:
-21.25°C (estimate)
BP:
216-220°C
Storage:
2-8℃;
Form:
Liquid
Refractive Index:
1.4270
Computed Properties
Molecular Weight:
144.214g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
144.115g/mol
Monoisotopic Mass:
144.115g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
116
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#:
3265
Hazard Statements:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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