2-Methyl-1,3-propanediol

C₄H₁₀O₂CAS 2163-42-090.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₁₀O₂
Molar mass: 90.12 g/mol
Exact mass: 90.0681 Da
Density: 1.02 g/mL (at 20 °C)
Melting point: −91 °C
Boiling point: 195 °C
logP: -0.39Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Identifiers

CAS number

2163-42-0

SMILES

CC(CO)CO

InChIKey

QWGRWMMWNDWRQN-UHFFFAOYSA-N

InChI

InChI=1S/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

10 names

1,3-Propanediol, 2-methyl-
β-Hydroxyisobutanol
MPDiol
1,3-Dihydroxyisobutane
Methylpropanediol
2-Methylpropane-1,3-diol
1,3-Dihydroxy-2-methylpropane
2-Methyl-1,3-propylene glycol
Polyol 4
1,3-Isobutanediol

Work with 2-Methyl-1,3-propanediol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Same formula

1,3-Butanediol107-88-0 Propylene glycol methyl ether107-98-2 1,4-Butanediol110-63-4 Dimethoxyethane110-71-4 2-Ethoxyethanol110-80-5 2-Methoxy-1-propanol1589-47-5 3-Methoxy-1-propanol1589-49-7 (+)-2,3-Butanediol19132-06-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook