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Home > Encyclopedia > 2-Methyl-5-(methylthio)furan

2-Methyl-5-(methylthio)furan

2-Methyl-5-(methylthio)furan structure

2-Methyl-5-(methylthio)furan 

structure
  • CAS No:

    13678-59-6

  • Formula:

    C6H8OS

  • Chemical Name:

    2-Methyl-5-(methylthio)furan

  • Synonyms:

    Furan,2-methyl-5-(methylthio)-;2-Methyl-5-(methylthio)furan;Methyl 5-methylfuryl sulfide;5-Methyl-2-(methylthio)furan;2-Methyl-5-methylsulfanylfuran

  • Categories:

    Flavors and Fragrances  >  Synthetic Fragrances

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

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