2,6-Dimethyl-3-[(2-methyl-3-furanyl)thio]-4-heptanone
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![2,6-Dimethyl-3-[(2-methyl-3-furanyl)thio]-4-heptanone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/a680df921f8240dd9945708989341f71.png "2,6-Dimethyl-3-[(2-methyl-3-furanyl)thio]-4-heptanone")
2,6-Dimethyl-3-[(2-methyl-3-furanyl)thio]-4-heptanone
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CAS No:
61295-51-0
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Formula:
C14H22O2S
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Chemical Name:
2,6-Dimethyl-3-[(2-methyl-3-furanyl)thio]-4-heptanone
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Synonyms:
4-Heptanone,2,6-dimethyl-3-[(2-methyl-3-furanyl)thio]-;2,6-Dimethyl-3-[(2-methyl-3-furanyl)thio]-4-heptanone;2,6-Dimethyl-3-[(2-methyl-3-furyl)thio]heptan-4-one;1407167-59-2
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CAS No:
Characteristics
55.51000
4.31990
1.02g/cm3
316.6ºC at 760 mmHg
145.3ºC
1.503
6.15 mg/L @ 25 °C (est)|Insoluble in water; soluble in fat|Miscible at room temperature (in ethanol)
2,6-Dimethyl-3-[(2-methyl-3-furanyl)thio]-4-heptanone Use and Manufacturing
Food additives -> Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;
Computed Properties
Molecular Weight:254.39
XLogP3:4.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:254.13405111
Monoisotopic Mass:254.13405111
Topological Polar Surface Area:55.5
Heavy Atom Count:17
Complexity:251
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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