difurfuryl sulfide
 
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IUPAC name :2-(furan-2-ylmethylsulfanylmethyl)furan
InChI :InChI=1/C10H10O2S/c1-3-9(11-5-1)7-13-8-10-4-2-6-12-10/h1-6H,7-8H2
InChIKey :UYLKDZXJEKFFHJ-UHFFFAOYAG
SMILES :C1=COC(=C1)CSCC2=CC=CO2
(EINECS) number :237-172-3
cas number :13678-67-6
fema number :3238
coe number :11438
jecfa number :1080
fl. number :13.056
molar refractivity :52.88 ± 0.3 cm3
parachor :414.6 ± 4.0 cm3
index of refraction :1.564 ± 0.02
surface tension :42.3 ± 3.0 dyne/cm
density :1.195 ± 0.06 g/cm3
polarizability :20.96 ± 0.5 10-24cm3
xlogp : 1.60
molecular weight : 194.2502000
formula :C10 H10 O2 S
 
 
export tariff code :2932.19.0000
fda reg :unspecified
 

Suppliers :
Sigma-Aldrich-SAFC :2,2'-(Thiodimethylene)difuran
 ≥98%, FG
 
 

organoleptics :
odor type :earthy
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in propylene glycol.  
powerful earthy mushroom coffee meaty sulfury

properties :
appearence :yellow brown to brown solid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
melting point : 30.00 - 32.00 °C. @ 760.00 mm Hg
boiling point : 130.00 - 131.00 °C. @ 9.00 mm Hg
boiling point : 135.00 - 143.00 °C. @ 14.00 mm Hg
logp : 2.51

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) :> 230.00  °F.  TCC  ( > 110.00 °C. )
  
recommendation for difurfuryl sulfide usage levels up to :
  0.0100 % in the fragrance concentrate.
  
recommendation for difurfuryl sulfide usage levels up to :
  1.0000 ppm in the flavor.
  

safety links :
(EINECS) number :237-172-3
chemidplus :013678676
epa-srs :13678-67-6
  

other :
 

references :
jecfa number :1080
fl. number :13.056
pubchem :198048
NIST Chemistry WebBook :2724713085
  
synonyms :
 difurfuryl monosulfide
 difurfuryl sulfide
2-furfuryl monosulfide
bis 2-furfuryl sulfide
2,2-(thiodimethylene) difuran
2,2'-(thiodimethylene) difuran
soluble in :
 alcohol
insoluble in :
 water
stability :
 stable at room temp
(odor and/or flavor) blends with :
 dibenzyl ether
2,5-dihydroxy-1,4-dithiane
2,6-dimethyl thiophenol
2,5-dimethyl-3-furan thiol
 ethyl 4-(acetyl thio) butyrate
 fish thiol
 hexyl mercaptan
 leaf acetal
 menthofuran
 methyl 2-methyl-3-furyl disulfide
4-methyl 4-mercaptopentan-2-one 1% in pg
tris(methyl thio) methane
2-methyl-3-furyl tetrasulfide
1,9-nonane dithiol
1-nonen-3-ol
1,8-octane dithiol
3-octanol
(3R)-1-octen-3-ol
1-octen-3-one
 octyl 2-furoate
 octyl acetate
(E)-2-penten-1-ol
 phenyl acetaldehyde dimethyl acetal
2-phenyl propionaldehyde dimethyl acetal
2-phenyl propionaldehyde ethylene glycol acetal
 pyrazinyl ethane thiol
(odor and/or flavor) used in :
 beef
 chicken
 chocolate cocoa
 coffee
natural occurrence in :
coffee



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