Butanoic acid, 2,2-dimethyl-


Chemical Name: Butanoic acid, 2,2-dimethyl-
CAS Number: 595-37-9
Product Number: AG003FBN(AGN-PC-07A1XP)
Synonyms:
MDL No:
Molecular Formula: C6H12O2
Molecular Weight: 116.1583

Identification/Properties


Properties
MP:
-14°C
BP:
187.3°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.4154(lit.)
Computed Properties
Molecular Weight:
116.16g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
116.084g/mol
Monoisotopic Mass:
116.084g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
94.7
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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