tert-Butyl 2-hydroxyacetate

C₆H₁₂O₃CAS 50595-15-8132.16 g/mol

Open in Covalent MOL file

Alcohol Ester

Properties

Molecular formula: C₆H₁₂O₃
Molar mass: 132.16 g/mol
Exact mass: 132.0786 Da
logP: 0.32Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H226 Flammable liquid and vapor50% of notifiers
H227 Combustible liquid25% of notifiers
H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation25% of notifiers
H319 Causes serious eye irritation25% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation25% of notifiers

Aggregated from 4 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, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

50595-15-8

SMILES

CC(C)(C)OC(=O)CO

InChIKey

WINGEFIITRDOLJ-UHFFFAOYSA-N

InChI

InChI=1S/C6H12O3/c1-6(2,3)9-5(8)4-7/h7H,4H2,1-3H3

Weigh it out

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

Names and synonyms

1 names

2-T-Butyl glycolate

Work with tert-Butyl 2-hydroxyacetate

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

1,3-Bis(1,1-dimethylethyl) propanedioate541-16-263 % similar tert-Butyl 4-hydroxybutanoate59854-12-559 % similar tert-Butyl propionate20487-40-558 % similar tert-Butyl chloroacetate107-59-556 % similar tert-Butyl bromoacetate5292-43-356 % similar GLYCINE t-BUTYL ESTER6456-74-256 % similar Di-tert-butyl iminodiacetate85916-13-856 % similar 3-(tert-Butoxy)-3-oxopropanoic acid40052-13-955 % 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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