chempirical

Butyl glycolate

C6H12O3CAS 7397-62-8132.16 g/mol

Open in Covalent MOL file
OOOH
AlcoholEster

Properties

Molecular formula
C6H12O3
Molar mass
132.16 g/mol
Exact mass
132.0786 Da
Boiling point
87–88 °C (at 20.5 Torr)
logP
0.32Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
7397-62-8
SMILES
CCCCOC(=O)CO
InChIKey
VFGRALUHHHDIQI-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O3/c1-2-3-4-9-6(8)5-7/h7H,2-5H2,1H3

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

Names and synonyms

8 names
  • Acetic acid, 2-hydroxy-, butyl ester
  • Glycolic acid, butyl ester
  • Acetic acid, hydroxy-, butyl ester
  • Butoxycarbonylmethanol
  • Butyl hydroxyacetate
  • Polysolvan O
  • n-Butyl glycolate
  • Butyl 2-hydroxyacetate

Work with Butyl glycolate

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

Dibutyl succinate141-03-767 % similar Dibutyl adipate105-99-764 % similar Butyl butyrate109-21-764 % similar Butyl propionate590-01-264 % similar Butyl valerate591-68-464 % similar Dibutyl sebacate109-43-362 % similar Dibutyl azelate2917-73-962 % similar Butyl hexanoate626-82-462 % 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 3-(Allyloxy)-1,2-propanediol123-34-2 Paraldehyde123-63-7 tert-Butoxy acetic acid13211-32-0

Elsewhere

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