2-Methyl-2-propyl-1,3-propanediol

C₇H₁₆O₂CAS 78-26-2132.20 g/mol

Open in Covalent MOL file

Alcohol

Properties

Molecular formula: C₇H₁₆O₂
Molar mass: 132.20 g/mol
Exact mass: 132.1150 Da
Melting point: 62.5 °C
Boiling point: 234 °C
logP: 0.78Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed93.8% of notifiers
H312 Harmful in contact with skin56.2% of notifiers
H317 May cause an allergic skin reaction25% of notifiers
H319 Causes serious eye irritation31.2% of notifiers
H332 Harmful if inhaled56.2% of notifiers

Aggregated from 16 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

78-26-2

SMILES

CCCC(C)(CO)CO

InChIKey

JVZZUPJFERSVRN-UHFFFAOYSA-N

InChI

InChI=1S/C7H16O2/c1-3-4-7(2,5-8)6-9/h8-9H,3-6H2,1-2H3

Weigh it out

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

Names and synonyms

5 names

1,3-Propanediol, 2-methyl-2-propyl-
NSC 26233
2-Propyl-2-methyl-1,3-propanediol
2-Methyl-2-(1-propyl)-1,3-propanediol
2-Methyl-2-propylpropane-1,3-diol

Work with 2-Methyl-2-propyl-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

Similar compounds

1-Methylcyclopropanemethanol2746-14-758 % similar Trimethylolethane77-85-056 % similar 3-Methyl-3-oxetanemethanol3143-02-043 % similar 2-Methylpentan-2-ol590-36-343 % similar 4,4-Dimethyl heptane1068-19-543 % similar 2,2-Dimethylpentane590-35-243 % similar Meprobamate57-53-442 % similar 2-Butyl-2-ethyl-1,3-propanediol115-84-441 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Butoxy-1-propanol10215-33-5 2,2-Diethyl-1,3-propanediol115-76-4 2,2-Diethoxypropane126-84-1 2-N-Butylpropane-1,3-diol2612-26-2 1-Butoxy-2-propanol5131-66-8 1,7-Heptanediol629-30-1

Elsewhere

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