2-methyl 5-(methyl thio) furan
 
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IUPAC name :2-methyl-5-methylsulfanylfuran
InChI :InChI=1/C6H8OS/c1-5-3-4-6(7-5)8-2/h3-4H,1-2H3
InChIKey :RESBOJMQOGJOMW-UHFFFAOYAZ
SMILES :CC1=CC=C(O1)SC
(EINECS) number :237-170-2
cas number :13678-59-6
fema number :3366
coe number :11550
jecfa number :1062
fl. number :13.065
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 : 1.70
molecular weight : 128.1921200
formula :C6 H8 O S
 
 
fda reg :unspecified h. number :2932.19.0000
 
organoleptics : 
odor type :sulfurous
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in dipropylene glycol.  
sulfury onion garlic coffee mustard horseradish
properties : 
appearence :pale yellow to yellow clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.05500 - 1.05900 @ 20.00 °C.
pounds per gallon - calc. : 8.789 to 8.822
refractive index :1.51400 - 1.52000 @ 20.00 °C.
boiling point : 66.00 - 67.00 °C. @ 23.00 mm Hg
logp : 2.33
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 125.00  °F.  TCC  ( 51.67 °C. )
  
recommendation for 2-methyl 5-(methyl thio) furan usage levels up to :
 not for fragrance use.
  
recommendation for 2-methyl 5-(methyl thio) furan usage levels up to :
  50.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :237-170-2
chemidplus :013678596
epa-srs :13678-59-6
  
other : 
 
references : 
jecfa number :1062
fl. number :13.065
pubchem :198046
NIST Chemistry WebBook :1273954673
  
synonyms :
2-methyl 5-(methyl thio) furan
2-methyl 5-(methylthio) furan
2-methyl-5-(methyl thio) furan
2-methyl-5-(methylthio) furan
2-methyl-5-methyl sulfanyl furan
2-methyl-5-methyl thiofuran
2-methyl-5-thiomethyl furan
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
2-acetyl-2-thiazoline
 allyl disulfide
 allyl mercaptan
 allyl methyl disulfide
 allyl methyl sulfide
 allyl methyl trisulfide
 allyl propyl disulfide
 allyl propyl sulfide
 allyl propyl trisulfide
 allyl sulfide
 allyl thiopropionate
isoamyl mercaptan
 asafetida absolute
 asafetida oil
 benzyl mercaptan
2,3-butane diol
1,3-butane dithiol
 butyl mercaptan
isobutyl mercaptan
 coffee difuran
 cyclopentyl mercaptan
 diallyl polysulfides
 diallyl tetrasulfide
 diallyl trisulfide
 dicyclohexyl disulfide
 diethyl disulfide
 diethyl trisulfide
 dimethyl disulfide
 dimethyl sulfide
 dimethyl trisulfide
(Z+E)-2,5-dimethyl-3-tetrahydrofuran thiol
(Z+E)-2,5-dimethyl-3-thioacetoxytetrahydrofuran
 dipropyl disulfide
 dipropyl sulfide
 dipropyl trisulfide
1,4-dithiane
 ethyl 3-(furfuryl thio) propionate
 ethyl isothiocyanate
 ethyl methyl trisulfide
 ethyl propyl disulfide
 ethyl propyl trisulfide
S-ethyl thioacetate
 ethyl vinyl ketone
 furfuryl acetate
 furfuryl methyl sulfide
 furfuryl thiopropionate
2-furyl acetone
 garlic oleoresin
 green dioxolane
 heptyl mercaptan
(Z)-3-hexen-1-yl tiglate
 meaty dithiane
1-para-menthene-8-thiol
3-mercapto-2-methyl pentanal
3-mercapto-2-methyl pentanol
3-mercapto-2-pentanone
(R*,S*)-2-mercapto-3-butanol
 methyl 2-(methyl thio) butyrate
 methyl 2-methyl-3-furyl disulfide
 methyl 2-thiofuroate
 methyl 3-(methyl thio) propionate
 methyl 3-mercaptobutanoate
 methyl isothiocyanate
 methyl phenyl disulfide
 methyl propyl disulfide
 methyl propyl trisulfide
2-(methyl thio) acetaldehyde
3-(methyl thio) hexanol
2-(methyl thio) methyl-2-butenal
3-(methyl thio) propanol
4-methyl thiobutyl isothiocyanate
6-methyl thiohexyl isothiocyanate
 methyl thiomethyl butyrate
5-methyl thiopentyl isothiocyanate
2-methyl-1-butanol
bis(2-methyl-3-furyl) disulfide
 onion oil
 onion oleoresin
1-penten-3-ol
4-pentenyl isothiocyanate
2-phenethyl isothiocyanate
 propenyl propyl disulfide
isopropyl disulfide
isopropyl isothiocyanate
 propyl mercaptan
isopropyl mercaptan
 propyl thioacetate
 radish isothiocyanate
ortho-thiocresol
2,3,5-trithiahexane
(odor and/or flavor) used in :
 coffee
 garlic
 mushroom
 mustard
 onion
natural occurrence in :
coffee



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