chempirical

Isopropyl hydroxyacetate

C5H10O3CAS 623-61-0118.13 g/mol

Open in Covalent MOL file
OOOH
AlcoholEster

Properties

Molecular formula
C5H10O3
Molar mass
118.13 g/mol
Exact mass
118.0630 Da
logP
-0.07Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
623-61-0
SMILES
CC(C)OC(=O)CO
InChIKey
AZKIQQBSVTWCGY-UHFFFAOYSA-N
InChI
InChI=1S/C5H10O3/c1-4(2)8-5(7)3-6/h4,6H,3H2,1-2H3

Weigh it out

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

Names and synonyms

5 names
  • Isopropyl glycolate
  • Acetic acid, 2-hydroxy-, 1-methylethyl ester
  • Glycolic acid, isopropyl ester
  • Acetic acid, hydroxy-, 1-methylethyl ester
  • NSC 14089

Work with Isopropyl 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

Diisopropyl malonate13195-64-763 % similar Diisopropyl succinate924-88-963 % similar Isopropyl propionate637-78-558 % similar Diisopropyl adipate6938-94-958 % similar Isopropyl chloroacetate105-48-656 % similar Isopropyl bromoacetate29921-57-156 % similar Diisopropyl sebacate7491-02-356 % similar Isopropyl butanoate638-11-954 % 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 (±)-2-Hydroxy-2-methylbutyric acid3739-30-8 Methyl 3-methoxypropionate3852-09-3 Ethyl 2-methoxyacetate3938-96-3

Elsewhere

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