1-Butanol, 3,3-dimethyl-


Chemical Name: 1-Butanol, 3,3-dimethyl-
CAS Number: 624-95-3
Product Number: AG003BAO(AGN-PC-0JKAHG)
Synonyms:
MDL No:
Molecular Formula: C6H14O
Molecular Weight: 102.1748

Identification/Properties


Properties
MP:
60 °C(lit.)
BP:
143°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Refractive Index:
n20/D 1.414(lit.)
Computed Properties
Molecular Weight:
102.177g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
102.104g/mol
Monoisotopic Mass:
102.104g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
42.6
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#:
1987
Hazard Statements:
H226
Precautionary Statements:
P210-P403+P235
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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