5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone

C7H10O3CAS 698-10-2142.15 g/mol

Open in Covalent MOL file
OOOH
AlkeneEsterLactone

Properties

Molecular formula
C7H10O3
Molar mass
142.15 g/mol
Exact mass
142.0630 Da
Density
1.134–1.144 g/mL
Melting point
31–33 °C
Boiling point
135–137 °C (at 4 Torr)
logP
1.15Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,608 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
698-10-2
SMILES
CCC1OC(=O)C(O)=C1C
InChIKey
IUFQZPBIRYFPFD-UHFFFAOYSA-N
InChI
InChI=1S/C7H10O3/c1-3-5-4(2)6(8)7(9)10-5/h5,8H,3H2,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • 2(5H)-Furanone, 5-ethyl-3-hydroxy-4-methyl-
  • 2-Hexenoic acid, 2,4-dihydroxy-3-methyl-, γ-lactone
  • α-Hydroxy-β-methyl-Δα,β-γ-hexenolactone
  • Abhexone
  • α-Hydroxy-β-methyl-γ-hexenolactone
  • Homosotolone
  • 3-Hydroxy-4-methyl-5-ethyl-2(5H)-furanone
  • Abhexon
  • 2-Ethyl-4-hydroxy-3-methyl-2H-furan-5-one

Work with 5-Ethyl-3-hydroxy-4-methyl-2(5H)-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Sotolon28664-35-955 % similar 3-O-Ethylascorbic acid86404-04-835 % similar Chemistry of ascorbic acid50-81-733 % similar Erythorbic acid89-65-633 % similar 2-Phenoxybutanoic acid13794-14-433 % similar γ-Butyrolactone methacrylate195000-66-933 % similar sec-Butyl acetate105-46-432 % similar Ethylmalonic acid601-75-232 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 2-oxocyclopentanecarboxylate10472-24-9 Glycidyl methacrylate106-91-2 Allyl acetoacetate1118-84-9 4-(Acetyloxy)-2-methyl-2-butenal14918-80-0 Ethyl 3-oxopent-4-enoate22418-80-0 5-Ethyl-4-hydroxy-2-methyl-3(2H)-furanone27538-09-6 Homofuraneol27538-10-9 2,2-Dimethylglutaric anhydride2938-48-9

Elsewhere

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