3,3-Dimethyl-1,2-butanediol

Product Information

Molecular Formula:
C6H14O2
Molecular Weight:
118.17
Description
3,3-Dimethyl-1,2-butanediol (CAS# 59562-82-2 ) is a useful research chemical.
Synonyms
1,2-Butanediol, 3,3-dimethyl-
IUPAC Name
3,3-dimethylbutane-1,2-diol
Canonical SMILES
CC(C)(C)C(CO)O
InChI
InChI=1S/C6H14O2/c1-6(2,3)5(8)4-7/h5,7-8H,4H2,1-3H3
InChI Key
YVHAOWGRHCPODY-UHFFFAOYSA-N
Boiling Point
201-202 °C
Melting Point
37-39 °C (lit.)
Flash Point
210.2 °CF - closed cup
Purity
≥ 85 %
Density
0.96 g/cm3
Appearance
White crystalline chunks

Computed Properties

XLogP3
0.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
118.099379685 g/mol
Monoisotopic Mass
118.099379685 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
63.4
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-114163560-A Strong-adhesion boiling-resistant coating for synthetic resin and organic glass 2021-12-03
CN-112778958-A Polyurethane adhesive and colloid prepared from same 2020-12-30
US-2022064860-A1 Polyvinyl Alcohol Coated Cellulosic Products 2020-08-26
JP-2022027149-A Polyurethane elastomer, a molded product made of the same, and a composition for producing a polyurethane elastomer. 2020-07-31
US-2022031589-A1 Hair cosmetic compositions containing cationic compounds, acrylate-based polymers, fatty compounds, and aminofunctionalized silicones 2020-07-31
US-2022031591-A1 Hair treatment compositions containing amino acids 2020-07-31
US-2022031602-A1 Skin perfecting cosmetic compositions and methods of use 2020-07-31
WO-2022026282-A1 Skin tightening cosmetic compositions and methods of use 2020-07-31
WO-2022026286-A1 Hair treatment compositions containing amino acids 2020-07-31
WO-2022026790-A1 Hair cosmetic compositions for preserving or maintaining the style or shape of hair 2020-07-31
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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