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
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 |
