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

C₈H₁₀O₄CAS 4166-20-5170.16 g/mol

Open in Covalent MOL file

Alkene Ester Ether Ketone

Properties

Molecular formula: C₈H₁₀O₄
Molar mass: 170.16 g/mol
Exact mass: 170.0579 Da
Boiling point: 243 °C
logP: 0.77Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

Warning

H317 May cause an allergic skin reaction96.7% of notifiers
H411 Toxic to aquatic life with long lasting effects96.7% of notifiers

Aggregated from 2,394 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, P501

Identifiers

CAS number

4166-20-5

SMILES

CC(=O)OC1=C(C)OC(C)C1=O

InChIKey

VPKIUOQJQJVLRW-UHFFFAOYSA-N

InChI

InChI=1S/C8H10O4/c1-4-7(10)8(5(2)11-4)12-6(3)9/h4H,1-3H3

Weigh it out

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

Names and synonyms

5 names

3(2H)-Furanone, 4-(acetyloxy)-2,5-dimethyl-
3(2H)-Furanone, 4-hydroxy-2,5-dimethyl-, acetate
4-(Acetyloxy)-2,5-dimethyl-3(2H)-furanone
(2,5-Dimethyl-4-oxofuran-3-yl) acetate
4-Acetoxy-2,5-dimethyl-3(2H)-furanone

Work with 4-Acetoxy-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

2,5-Dimethyl-4-methoxy-3(2H)-furanone4077-47-867 % similar 4-Butyroxy-2,5-dimethyl-3(2H)-furanone114099-96-659 % similar Furaneol3658-77-352 % similar Acetoin acetate4906-24-542 % similar (S)-(-)-2-Acetoxypropionyl chloride36394-75-940 % similar (2S)-2-(Acetyloxy)propanoic acid6034-46-440 % similar (+)-Diacetyl-L-tartaric anhydride6283-74-539 % similar D-Diacetyltartaric anhydride70728-23-339 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,6-Dimethoxyhydroquinone15233-65-5 1,4-Diacetoxy-2-butyne1573-17-7 γ-Butyrolactone methacrylate195000-66-9 Rel-(1R,2S)-4-Cyclohexene-1,2-dicarboxylic acid2305-26-2 Ethylene glycol diacrylate26570-48-9 Diethyl squarate5231-87-8 6,6-Dimethyl-5,7-dioxaspiro(2.5)octane-4,8-dione5617-70-9 Diethyl acetylenedicarboxylate762-21-0

Elsewhere

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