(±)-2-Hydroxy-2-methylbutyric acid

C₅H₁₀O₃CAS 3739-30-8118.13 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid

Properties

Molecular formula: C₅H₁₀O₃
Molar mass: 118.13 g/mol
Exact mass: 118.0630 Da
Melting point: 74 °C
Boiling point: 133–134 °C (at 16 Torr)
logP: 0.23Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3739-30-8

SMILES

CCC(C)(O)C(=O)O

InChIKey

MBIQENSCDNJOIY-UHFFFAOYSA-N

InChI

InChI=1S/C5H10O3/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H,6,7)

Weigh it out

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

Names and synonyms

11 names

Butanoic acid, 2-hydroxy-2-methyl-
Butyric acid, 2-hydroxy-2-methyl-
Butyric acid, α-hydroxy-α-methyl-
2-Hydroxy-2-methylbutanoic acid
α-Hydroxy-α-methylbutyric acid
2-Hydroxy-2-methylbutyric acid
2-Methyl-2-hydroxybutyric acid
(±)-α-Hydroxy-α-methylbutyric acid
(±)-2-Hydroxy-2-methylbutanoic acid
NSC 9458
(+-)-2-Hydroxy-2-methylbutyric acid

Work with (±)-2-Hydroxy-2-methylbutyric acid

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(2R)-3-Bromo-2-hydroxy-2-methylpropanoic acid261904-39-661 % similar (R)-(-)-Citramalic acid6236-10-859 % similar 2,2-Dimethylbutanoic acid595-37-956 % similar 2,2-Diethylpropanedioic acid510-20-354 % similar D-Isovaline3059-97-050 % similar DL-Isovaline465-58-750 % similar Isovaline595-39-150 % similar Isovaline595-40-450 % 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 Methyl alpha-hydroxyisobutyrate2110-78-3 3,3-Bisz-(hydroxymethyl)-oxetane2754-18-9 Methyl 3-methoxypropionate3852-09-3 Ethyl 2-methoxyacetate3938-96-3 Methyl (-)-3-hydroxybutyrate3976-69-0

Elsewhere

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