2-methyl 3-(methyl thio) furan
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IUPAC name :2-methyl-3-methylsulfanylfuran
InChI :InChI=1/C6H8OS/c1-5-6(8-2)3-4-7-5/h3-4H,1-2H3
InChIKey :OQVAOEIMSKZGAL-UHFFFAOYAK
SMILES :CC1=C(C=CO1)SC
cas number :63012-97-5
fema number :3949
jecfa number :1061
fl. number :13.152
molar refractivity :36.49 ± 0.4 cm3
parachor :289.5 ± 6.0 cm3
index of refraction :1.528 ± 0.03
surface tension :35.8 ± 5.0 dyne/cm
density :1.08 ± 0.1 g/cm3
polarizability :14.46 ± 0.5 10-24cm3
XlogP : 1.60
molecular weight : 128.1921200 (IUPAC)
formula :C6 H8 O S
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Frutarom :METHYLMETHYLTHIOFURAN
10% in TAC, NI, Kosher
Odor:  Beefy, Cheese, Coffee, Minty, Spicy
Suggested Uses: Beef, Chicken, Cocoa, Coffee, Savoury
Givaudan :2-Methyl-3-methylthiofuran
≥95%, NI, Kosher
Odor:  Aromatic, Sulphury,Roasted (on dilution)
This chemical has a meaty, boney character useful in savoury flavours.
Hofmen :2-Methyl-3-(methylthio)-furan
Jiangyin Healthway :2-Methyl-3-methylthio furan
Penta :2-methyl-3-methylthiofuran
SAFC Global® :2-Methyl-3-methylthiofuran
≥98%, Kosher
Odor:  cheese; nutty; sulfurous; meaty; spicy; coffee
organoleptics :
odor type :sulfurous
odor strength :high ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in triacetin.  		beefy cheese coffee minty spicy
odor description:
at 1.00 % in propylene glycol.  		Spicy, pungent alliaceous, sulfurous drying to a meaty brothy aroma with mustard and coffee nuances
Mosciano, Gerard P&F 26, No. 5, 68, (2001)
taste description:
at 0.10 - 0.40 ppm.  		Mild meaty, spicy, slightly solvent like with coffee, nutty and cheesy nuances
Mosciano, Gerard P&F 26, No. 5, 68, (2001)
properties :
appearence :colorless to pale yellow clear liquid
assay : 10.00 to  15.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.14300 to 1.15000 @ 20.00 °C.
pounds per gallon - calc. : 9.522 to 9.580
refractive index :1.43700 to 1.44400 @ 20.00 °C.
flash point : 100.00  °F.  TCC  ( 37.78 °C. )
logP (o/w) : 2.33
safety :
most important hazard(s) :Xi - Irritant
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavoring agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :1.20 (μg/capita/day)
 
recommendation for 2-methyl 3-(methyl thio) furan fragrance usage levels up to :
 not for fragrance use.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
WISER :UN 1993
 
WGK Germany :3
 
 
 
 
2-methyl-3-methylsulfanylfuran
chemidplus :63012-97-5
EPA Substance Registry Services :63012-97-5
references :
 
2-methyl-3-methylsulfanylfuran
fl. number :13.152
jecfa number :1061
NIST Chemistry WebBook :2594154694
pubchem :11077778
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 dimethyl thiofurane
2-methyl-3-(methyl thio) furan
2-methyl-3-methyl thiofuran
2-methyl-3-methylsulfanylfuran
2-methyl-3-methylthiofuran
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
4-acetyl-2-methyl pyrimidineFL
4-allyl-2,6-dimethoxyphenolFL
4-aminobutyric acidFL
 amyl mercaptanFL
 bacon dithiazineFL
1,3-butane dithiolFL
2,3-butane dithiolFL
2-(2-butyl)-4,5-dimethyl-3-thiazolineFL
 butyraldehydeFL
 coffee difuranFL
 cyclopropyl (E,Z)-2,6-nonadienamideFL
2,5-diethyl thiazoleFL
3,5-diethyl-2-methyl pyrazineFL
2,5-diethyl-3-methyl pyrazineFL
 difurfuryl sulfideFL
2,5-dihydroxy-1,4-dithianeFL
N-(2,4-dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamideFL
N-(2-(3,4-dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amideFL
2,5-dimethyl furanFL
 dimethyl tetrasulfideFL
2,4-dimethyl thiazoleFL
2,6-dimethyl thiophenolFL
 dimethyl trisulfideFL/FR
4,5-dimethyl-2-ethyl-3-thiazolineFL
3,7-dimethyl-2,6-octadien-1-yl cyclopropyl carboxamideFL
2,6-dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanoneFL
2,5-dimethyl-3-furan thiolFL
bis(2,5-dimethyl-3-furyl) disulfideFL
2,5-dimethyl-3-thiofuroyl furanFL
1,1-ethane dithiol 1% in ethanolFL
 ethyl (E,Z)-2,6-nonadienamideFL
S-ethyl 2-acetyl aminoethane thioateFL
 ethyl 3-mercaptopropionateFL/FR
 ethyl 4-(acetyl thio) butyrateFL
S-ethyl thioacetateFL
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazolineFL
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazolineFL
 fish thiolFL
 furfuryl isopropyl sulfideFL
 furfuryl propionateFL
4-furfuryl thio-2-pentanoneFL
 hazelnut pyrazineFL/FR
N-(heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamideFL
1,6-hexane dithiolFL
 hexyl mercaptanFL
 meaty dithianeFL
3-mercapto-2-butanoneFL
4-mercapto-2-pentanone 1% in acetoinFL
2-mercapto-3-pentanoneFL
2-mercaptomethyl pyrazineFL
2-mercaptopropionic acidFL
N1-(2-methoxy-4-methyl benzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamideFL
N1-(2-methoxy-4-methyl benzyl)-N2-2(2-(5-methyl pyridin-2-yl)ethyl) oxalamideFL
 methyl 2-methyl-3-furyl disulfideFL
4-methyl 4-mercaptopentan-2-one 1% in pgFL/FR
 methyl dihydrofuran thiolFL
4-methyl nonanoic acidFL
2-methyl pyrazineFL/FR
2-methyl thiazolidineFL
2-(methyl thio) ethanolFL
12-methyl tridecanalFL
2-methyl-1-methyl thio-2-buteneFL
3-methyl-2-butane thiolFL
2-methyl-3-(methyl thio) pyrazineFL/FR
2-methyl-3-furyl tetrasulfideFL
bis(2-methyl-3-furyl) disulfideFL
S-(2-methyl-3-furyl) ethane thioateFL
3-((2-methyl-3-furyl)thio)-4-heptanoneFL
4-((2-methyl-3-furyl)thio)-5-nonanoneFL
2-methyl-3-tetrahydrofuran thiolFL
2-naphthyl mercaptanFL
1,9-nonane dithiolFL
 nutty thiazoleFL
1,8-octane dithiolFL
 peanut dithiazineFL
1-phenethyl mercaptanFL
1,3-propane dithiolFL
2-propionyl-2-thiazolineFL
 propyl 2-mercaptopropionateFL
 propyl 2-methyl-3-furyl disulfideFL
isopropyl disulfideFL
isopropyl mercaptanFL
 pyrazinyl ethane thiolFL
2-pyridinyl methane thiolFL
 pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazineFL
 roasted butanolFL
 rum etherFL/FR
 sulfuryl acetateFL
3-tetrahydrothiophenoneFL
 thialdineFL
 thiazoleFL
3-thienyl mercaptanFL
1-(2-thienyl) butanoneFL
ortho-thiocresolFL
 thioguaiacolFL
 tyramineFL
potential uses :
 chocolate cocoa
 coffee
 meat
 nut
 wasabi
natural occurrence in :    note
 beef cooked beef  
 coffee  
 tea  

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