Homofuraneol
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Homofuraneol
structure -
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CAS No:
27538-10-9
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Formula:
C7H10O3
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Chemical Name:
Homofuraneol
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Synonyms:
3(2H)-Furanone,2-ethyl-4-hydroxy-5-methyl-;2-Ethyl-4-hydroxy-5-methyl-3(2H)-furanone;4-Hydroxy-2-ethyl-5-methyl-2,3-dihydrofuran-3-one;2-Methyl-5-ethyl-4,5-dihydrofuran-3-ol-4-one;4-Hydroxy-5-methyl-2-ethyl-2,3-dihydrofuran-3-one;4-Hydroxy-2-ethyl-5-methyl-3(2H)-furanone;2-Methyl-3-hydroxy-5-ethylfuran-4-one;Homofuraneol;HEMF;2-Ethyl-4-hydroxy-5-methylfuran-3-one
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CAS No:
Description
Colorless to light yellow liqui 2-Ethyl-4-hydroxy-5-methyl-3(2H)-furanone has been identified in, for example, coffee and melon. The
tautomer mixture is a clear slightly yellowish liquid, bp0.02 kPa 82–83°C, d
20
4
1.137,
n
20
D
1.511 with sweet, caramel, fruity, bread-like odor. 2-Ethyl-4-hydroxy-5-methyl-3(2H)-furanone has a sweet, fruity, caramel, butterscotch odor.
2-ethyl-4-hydroxy-5-methyl-3(2H)-furanone is a member of the class of furans that is furan-3(2H)-one carrying additional ethyl, hydroxy and methyl substituents at positions 2, 4 and 5 respectively. A key aroma compound in soy sauce and fish sauce. It has a role as a Saccharomyces cerevisiae metabolite. It is a cyclic ketone, an enol and a member of furans.
Characteristics
46.5
1.2
YELLOW LIQUID
1.2±0.1 g/cm3
103 °C @ Press: 15 Torr
184 °F
1.501
6178 mg/L @ 25 °C (est)
Safety Information
3
22
23-36
LU4250000
P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501|Aggregated GHS information provided by 549 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Homofuraneol Use and Manufacturing
3(2H)-Furanone, 2-ethyl-4-hydroxy-5-methyl-: ACTIVE
Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT;
Computed Properties
Molecular Weight:142.15
XLogP3:1.2
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
Recommended Suppliers of Homofuraneol
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