furfuryl methyl sulfide
 
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IUPAC name :2-(methylsulfanylmethyl)furan
InChI :InChI=1/C6H8OS/c1-8-5-6-3-2-4-7-6/h2-4H,5H2,1H3
InChIKey :SKSFHXVDHVKIBN-UHFFFAOYAQ
SMILES :CSCC1=CC=CO1
(EINECS) number :215-874-0
cas number :1438-91-1
fema number :3160
coe number :11482
jecfa number :1076
fl. number :13.053
molar refractivity :36.09 ± 0.3 cm3
parachor :288.5 ± 4.0 cm3
index of refraction :1.518 ± 0.02
surface tension :34.5 ± 3.0 dyne/cm
density :1.077 ± 0.06 g/cm3
polarizability :14.31 ± 0.5 10-24cm3
xlogp : 1.50
molecular weight : 128.1921200
formula :C6 H8 O S
 
 
fda reg :unspecified h. number :2932.10
organoleptics : 
odor type :alliaceous
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in propylene glycol.  
onion garlic sulfury pungent vegetable horseradish
taste description³ :at 2.50 ppm.  
Sulfuraceous, garlic, eggy with a horseradish mustard nuance
properties : 
appearence :yellow clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.08100 - 1.08700 @ 25.00 °C.
pounds per gallon - calc. : 8.995 to 9.045
refractive index :1.51700 - 1.52600 @ 20.00 °C.
boiling point : 64.00 - 65.00 °C. @ 15.00 mm Hg
boiling point : 62.00 - 63.00 °C. @ 28.00 mm Hg
logp : 1.72
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 146.00  °F.  TCC  ( 63.33 °C. )
  
recommendation for furfuryl methyl sulfide usage levels up to :
 not for fragrance use.
  
recommendation for furfuryl methyl sulfide usage levels up to :
  2.5000 ppm in the flavor.
  
safety links : 
(EINECS) number :215-874-0
chemidplus :001438911
epa-srs :1438-91-1
  
other : 
 
references : 
jecfa number :1076
fl. number :13.053
pubchem :203777
NIST Chemistry WebBook :3792402923
  
reference : Mosciano, Gerard P&F 15, No. 1, 19, (1990)³
synonyms :
 furfuryl methyl sulfide
 methyl furfuryl sulfide
2-(methyl thio) methyl furan
2-((methyl thio)methyl) furan
2-methyl thiomethyl furan
soluble in :
 alcohol
 water, slightly
insoluble in :
 water
(odor and/or flavor) blends with :
 allyl disulfide
 allyl propyl sulfide
 allyl sulfide
 allyl thiopropionate
 benzyl mercaptan
 benzyl methyl sulfide
 cyclopentyl mercaptan
 diisopropyl sulfide
 dipropyl trisulfide
 ethyl 3-(furfuryl thio) propionate
S-ethyl thioacetate
 furfuryl acetate
 furfuryl thiopropionate
 garlic oleoresin
 meaty dithiane
3-mercapto-2-pentanone
(R*,S*)-2-mercapto-3-butanol
 methyl 3-(methyl thio) propionate
2-methyl 5-(methyl thio) furan
4-methyl nonanoic acid
 methyl propyl trisulfide
2-(methyl thio) acetaldehyde
3-(methyl thio) hexanol
1-penten-3-ol
4-pentenyl isothiocyanate
 perilla oil
2-phenethyl isothiocyanate
 potato butanone
 propyl thioacetate
2-pyridinyl methane thiol
 radish isothiocyanate
ortho-thiocresol
(odor and/or flavor) used in :
 coffee
 garlic
 horseradish
 liver
 mustard
 onion
 pork
natural occurrence in :
coffee
liver
pork



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