4-Butyroxy-2,5-dimethyl-3(2H)-furanone

C10H14O4CAS 114099-96-6198.22 g/mol

Open in Covalent MOL file
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AlkeneEsterEtherKetone

Properties

Molecular formula
C10H14O4
Molar mass
198.22 g/mol
Exact mass
198.0892 Da
Density
1.095–1.103 g/mL
Boiling point
287 °C
logP
1.55Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Hazards

Not classified as hazardous under GHS by 90 ECHA notifiers. Aggregated from 90 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
114099-96-6
SMILES
CCCC(=O)OC1=C(C)OC(C)C1=O
InChIKey
JOLGAERKCZYHLF-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O4/c1-4-5-8(11)14-10-7(3)13-6(2)9(10)12/h6H,4-5H2,1-3H3

Weigh it out

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

Names and synonyms

4 names
  • 4,5-Dihydro-2,5-dimethyl-4-oxo-3-furanyl butanoate
  • Butanoic acid, 4,5-dihydro-2,5-dimethyl-4-oxo-3-furanyl ester
  • 2,5-Dimethyl-4-oxo-4,5-dihydrofuran-3-yl butanoate
  • (2,5-Dimethyl-4-oxofuran-3-yl) butanoate

Work with 4-Butyroxy-2,5-dimethyl-3(2H)-furanone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Acetoxy-2,5-dimethyl-3(2H)furanone4166-20-559 % similar 2,5-Dimethyl-4-methoxy-3(2H)-furanone4077-47-854 % similar Butyric anhydride106-31-047 % similar Isopropyl butanoate638-11-945 % similar Furaneol3658-77-343 % similar Butyl butyryllactate7492-70-841 % similar Methyl butyrate623-42-741 % similar Isobutyl butyrate539-90-240 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3-Bis(2-hydroxyethoxy)benzene102-40-9 Hydroquinone bis(2-hydroxyethyl) ether104-38-1 1,4-Butylene glycol diacrylate1070-70-8 (1S,4R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid13429-83-9 Polyethylene glycol dimethacrylate25852-47-5 3,4,5-Trimethoxybenzyl alcohol3840-31-1 2,3,4-Trimethoxy-6-methylphenol39068-88-7 Divinyl adipate4074-90-2

Elsewhere

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