5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone
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5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone
structure -
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CAS No:
698-10-2
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Formula:
C7H10O3
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Chemical Name:
5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone
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Synonyms:
2(5H)-Furanone,5-ethyl-3-hydroxy-4-methyl-;2-Hexenoic acid,2,4-dihydroxy-3-methyl-,γ-lactone;5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone;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;144810-13-9
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CAS No:
Description
light yellow liqui Abhexone has been found in, for example, lovage and roasted coffee. It has a bouillon-like, coffee and lovage aroma, depending on its concentration. It can be prepared starting from alkyl 2-oxobutanoate either by self-condensation followed subsequently by decarbomethoxylation or by condensation with propionaldehyde and subsequent cyclization . Alkyl 2-oxobutanoate is available from acrylaldehyde and sodium cyanide via alkyl 2-hydroxy-3-butenoate or by reaction of dialkyloxa
Solid|yellow liquid with a maple, butterscotch odour
5-ethyl-3-hydroxy-4-methyl-2(5H)-furanone is a butenolide. It has a role as a metabolite.
5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone Basic Attributes
142.15
142.15
211-811-6
DTXSID2052441
2932209090
Characteristics
46.5
0.9
Solid
1.2±0.1 g/cm3
31-33 °C
135-137 °C @ Press: 4 Torr
>230 °F
1.501
soluble in water
Safety Information
UN 3335
3
24/25
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 1606 companies from 3 notifications to the ECHA C&L Inventory.
5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone Use and Manufacturing
GB 2760-1996 stipulates the permitted food spices.
2(5H)-Furanone, 5-ethyl-3-hydroxy-4-methyl-: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:142.15
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:142.062994177
Monoisotopic Mass:142.062994177
Topological Polar Surface Area:46.5
Heavy Atom Count:10
Complexity:193
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone
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