Methyl 4-methoxybutyrate

C6H12O3CAS 29006-01-7132.16 g/mol

Open in Covalent MOL file
OOO
EsterEther

Properties

Molecular formula
C6H12O3
Molar mass
132.16 g/mol
Exact mass
132.0786 Da
Density
0.99 g/mL
Boiling point
162.5–163.5 °C (at 767 Torr)
logP
0.59Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Hazards

Warning
Flammable (GHS02)

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

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number
29006-01-7
SMILES
COCCCC(=O)OC
InChIKey
VHDGWXQBVWAMJA-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O3/c1-8-5-3-4-6(7)9-2/h3-5H2,1-2H3

Weigh it out

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

Names and synonyms

3 names
  • Butanoic acid, 4-methoxy-, methyl ester
  • Butyric acid, 4-methoxy-, methyl ester
  • Methyl 4-methoxybutanoate

Work with Methyl 4-methoxybutyrate

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

Methyl 3-methoxypropionate3852-09-375 % similar Dimethyl glutarate1119-40-073 % similar Dimethyladipate627-93-070 % similar Dimethyl sebacate106-79-667 % similar Dimethyl octadecanedioate1472-93-167 % similar 1,12-Dimethyl dodecanedioate1731-79-967 % similar Dimethyl pimelate1732-08-767 % similar Dimethyl suberate1732-09-867 % 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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