2-Methyl-5-(methylthio)furan
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2-Methyl-5-(methylthio)furan
structure -
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CAS No:
13678-59-6
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Formula:
C6H8OS
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Chemical Name:
2-Methyl-5-(methylthio)furan
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Synonyms:
Furan,2-methyl-5-(methylthio)-;2-Methyl-5-(methylthio)furan;Methyl 5-methylfuryl sulfide;5-Methyl-2-(methylthio)furan;2-Methyl-5-methylsulfanylfuran
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CAS No:
Description
2-Methyl-5-thiomethylfuran has a very strong, sulfurated odor.2-Methyl-5-(methylthio)furan has a very strong sulfurated odor. May be prepared from 2-methylfuran with CH3SCl; from 2-methylfuran with an organolithium compound.
Pale yellow to yellow; strong sulfuraceous, burnt odour, coffee, alliaceous taste
2-methyl-5-(methylthio)furan is a member of the class of furans that is furan substituted by methyl and methylsulfanyl groups at positions 2 and 5, respectively. It is a metabolite found in coffee and human urine. It has a role as a flavouring agent, a human urinary metabolite and a plant metabolite. It is a member of furans and a methyl sulfide.
2-Methyl-5-(methylthio)furan Basic Attributes
128.19
128.19
237-170-2
41Z7B950JJ
DTXSID9065578
2932190090
Characteristics
38.4
2.30990
COA
1.063
80 °C @ Press: 45-50 Torr
79-81°C/50mm
1.528
670.5 mg/L @ 25 °C (est)|Insoluble in water; soluble in corn oil|Miscible at room temperature (in ethanol)
2.85mmHg at 25°C
Safety Information
III
3
3271
10-22
16
Xn
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
H226
|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 120 companies from 3 notifications to the ECHA C&L Inventory.
2-Methyl-5-(methylthio)furan Use and Manufacturing
Furan, 2-methyl-5-(methylthio)-: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:128.19
XLogP3:2.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:128.02958605
Monoisotopic Mass:128.02958605
Topological Polar Surface Area:38.4
Heavy Atom Count:8
Complexity:74.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 2-Methyl-5-(methylthio)furan
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CN
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