Ethyl 2-hydroxyisobutyrate

C6H12O3CAS 80-55-7132.16 g/mol

Open in Covalent MOL file
OOOH
AlcoholEster

Properties

Molecular formula
C6H12O3
Molar mass
132.16 g/mol
Exact mass
132.0786 Da
Melting point
78 °C
Boiling point
150 °C
logP
0.32Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
80-55-7
SMILES
CCOC(=O)C(C)(C)O
InChIKey
GFUIDHWFLMPAGY-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O3/c1-4-9-5(7)6(2,3)8/h8H,4H2,1-3H3

Weigh it out

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

Names and synonyms

11 names
  • Propanoic acid, 2-hydroxy-2-methyl-, ethyl ester
  • Lactic acid, 2-methyl-, ethyl ester
  • Ethyl α-hydroxyisobutyrate
  • Ethyl 2-methyllactate
  • Ethyl 2-hydroxy-2-methylpropionate
  • Ethyl 2-methyl-2-hydroxypropanoate
  • 2-Hydroxy-2-methylpropanoic acid ethyl ester
  • NSC 4667
  • Ethyl 2-hydroxy-2-methylpropanoate
  • 2-Hydroxy-2-methylpropionic acid ethyl ester
  • 2-Hydroxyisobutyric acid ethyl ester

Work with Ethyl 2-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

Ethyl pivalate3938-95-259 % similar Ethyl 1-methylcyclopropanecarboxylate71441-76-455 % similar Diethyl cyclopropane-1,1-dicarboxylate1559-02-054 % similar Methyl alpha-hydroxyisobutyrate2110-78-354 % similar 1,3-Diethyl 2-ethyl-2-methylpropanedioate2049-70-953 % similar Diethyl bis(hydroxymethyl)malonate20605-01-053 % similar 2,2-Difluoropropionic acid ethyl ester28781-85-353 % similar 1,3-Diethyl 2-bromo-2-methylpropanedioate29263-94-353 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Solketal100-79-8 2,5-Bis[hydroxymethyl]tetrahydrofuran104-80-3 tert-Butyl peroxyacetate107-71-1 Propylene glycol methyl ether acetate108-65-6 2-Ethoxyethyl acetate111-15-9 Glyceryl allyl ether123-34-2 Paraldehyde123-63-7 tert-Butoxy acetic acid13211-32-0

Elsewhere

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