chempirical

Methyl alpha-hydroxyisobutyrate

C5H10O3CAS 2110-78-3118.13 g/mol

Open in Covalent MOL file
OOOH
AlcoholEster

Properties

Molecular formula
C5H10O3
Molar mass
118.13 g/mol
Exact mass
118.0630 Da
Boiling point
137 °C
logP
-0.07Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)

Aggregated from 124 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P354+P338, P317, P370+P378, P403+P235, P501

Identifiers

CAS number
2110-78-3
SMILES
COC(=O)C(C)(C)O
InChIKey
XYVQFUJDGOBPQI-UHFFFAOYSA-N
InChI
InChI=1S/C5H10O3/c1-5(2,7)4(6)8-3/h7H,1-3H3

Weigh it out

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Names and synonyms

14 names · show all
  • Methyl 2-hydroxyisobutyrate
  • Propanoic acid, 2-hydroxy-2-methyl-, methyl ester
  • Lactic acid, 2-methyl-, methyl ester
  • Methyl α-hydroxyisobutyrate
  • Methyl 2-methyllactate
  • Methyl 2-hydroxy-2-methylpropionate
  • α-Hydroxyisobutyric acid methyl ester
  • Methyl 2-methyl-2-hydroxypropionate
  • Methyl 2-hydroxy-2-methylpropanoate
  • 2-Hydroxyisobutyric acid methyl ester
  • NSC 7305
  • NSC 9381
  • 2-Hydroxy-2-methylpropionic acid methyl ester
  • Methyl 2-hydroxyisobutanoate

Work with Methyl alpha-hydroxyisobutyrate

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

Methyl pivalate598-98-154 % similar Ethyl 2-hydroxyisobutyrate80-55-754 % similar Methyl 3-hydroxy-2,2-dimethylpropanoate14002-80-348 % similar Methyl 2-bromo-2-methylpropanoate23426-63-348 % similar 1,1′-Dimethyl 2,2′-(1,2-diazenediyl)bis[2-methylpropanoate]2589-57-348 % similar Methyl 2-fluoroisobutyrate338-76-148 % similar Methyl 1-methylcyclopropane-1-carboxylate6206-25-348 % similar Trimethyl citrate1587-20-847 % similar

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

Same formula

Diethyl carbonate105-58-8 Ethylene glycol monomethyl ether acetate110-49-6 (S)-2-Hydroxy-3-methylbutanoic acid17407-55-5 3,3-Bisz-(hydroxymethyl)-oxetane2754-18-9 (±)-2-Hydroxy-2-methylbutyric acid3739-30-8 Methyl 3-methoxypropionate3852-09-3 Ethyl 2-methoxyacetate3938-96-3 Methyl (-)-3-hydroxybutyrate3976-69-0

Elsewhere

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