3-Acetyl-2,5-dimethylfuran
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3-Acetyl-2,5-dimethylfuran
structure -
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CAS No:
10599-70-9
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Formula:
C8H10O2
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Chemical Name:
3-Acetyl-2,5-dimethylfuran
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Synonyms:
Ethanone,1-(2,5-dimethyl-3-furanyl)-;Ketone,2,5-dimethyl-3-furyl methyl;1-(2,5-Dimethyl-3-furanyl)ethanone;3-Acetyl-2,5-dimethylfuran;2,5-Dimethyl-3-acetylfuran;1-(2,5-Dimethyl-3-furyl)-1-ethanone;NSC 504254;1-(2,5-Dimethylfuran-3-yl)ethanone;2,5-Dimethyl-3-furyl methyl ketone;1-(2,5-Dimethylfuran-3-yl)ethan-1-one
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CAS No:
Description
Colorless to light yellow liqui It is a liquid with a powerful, slightly roasted, nut-like aromaIt is a liquid with a powerful, slightly roasted, nut-like aroma.
Liquid|Colorless to yellow liquid; Sweet nutty hazelnut aroma with earthy undertones
3-acetyl-2,5-dimethylfuran is a member of the class of furans that is furan substituted by methyl, acetyl and methyl groups at positions 2, 3 and 5, respectively. It has a role as a flavouring agent, a plant metabolite and a mutagen. It is an aromatic ketone, a member of furans and a methyl ketone.
3-Acetyl-2,5-dimethylfuran Basic Attributes
138.16
138.16
112094
234-216-3
798V2T7ZBV
504254
DTXSID1030317
2932190090
Characteristics
30.2
1.74
Colorless to light yellow liquid
1.038 g/mL at 25 °C(lit.)
95 °C @ Press: 23 Torr
174 °F
n 20/D 1.485(lit.)
slightly|Slightly soluble in water; Soluble in propylene glycol, most fixed oils|Soluble (in ethanol)
0.0141mmHg at 25°C
Safety Information
3
24/25
Xi
Irritant
P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P333+P313, P337+P313, P363, P501
H302
Not Classified
3-Acetyl-2,5-dimethylfuran Use and Manufacturing
It is derived from the reaction of 2, 5-dimethylfuran and acetic anhydride in the presence of tin tetrachloride.
GB 2760-1996 stipulates that it is temporarily allowed to use spices. Mainly used to prepare nuts, cherries and smoked flavors.
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:138.16
XLogP3:1.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:138.068079557
Monoisotopic Mass:138.068079557
Topological Polar Surface Area:30.2
Heavy Atom Count:10
Complexity:142
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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