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
cas number :13678-67-6
(EINECS) number :237-172-3
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 (IUPAC)
formula :C10 H10 O2 S
NMR Predictor :Predict
 
 
export tariff code :2932.19.0000
fda reg :unspecified

Suppliers :
Advanced Biotech :difurfuryl sulfide
98% min. natural
Odor:  Meaty
Frutarom :2,2-(THIODIMETHYLENE)DIFURAN
≥98.00%, NI, Kosher
Odor:  Coffee, Meaty, Roast.
Suggested Uses: Coffee, Savoury
Hofmen :Difurfuryl sulfide
Penta :2,2-(thiodimethylene)difuran
Sigma-Aldrich-SAFC :2,2'-(Thiodimethylene)difuran
≥98%, FG
Odor:  cheese; meaty; coffee; nutty; earthy; alliaceous (onion, garlic); vegetable.
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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
odor description:
at 0.10 % in propylene glycol.  
Mild, earthy, fungal, mushroom-like with roasted meaty undertone, cocoa and coffee with nutty nuances
Mosciano, Gerard P&F 26, No. 5, 68, (2001)
taste description:
at 0.10 - 0.30 ppm.  
Earthy, mushroom, metallic, with bloody savory notes
Mosciano, Gerard P&F 26, No. 5, 68, (2001)

properties :
appearence :yellow brown to brown solid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 29.00 to 32.00 °C. @ 760.00 mm Hg
boiling point : 130.00 to 131.00 °C. @ 9.00 mm Hg
boiling point : 135.00 to 143.00 °C. @ 14.00 mm Hg
vapor density :6.6 ( Air = 1 )
flash point :> 230.00  °F.  TCC  ( > 110.00 °C. )
logP (o/w) : 2.51

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 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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) :0.73 (μg/capita/day)
 
recommendation for difurfuryl sulfide fragrance usage levels up to :
 not for fragrance use.
recommendation for difurfuryl sulfide flavor usage levels up to :
  1.0000 ppm in the flavor.

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
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
2-(furan-2-ylmethylsulfanylmethyl)furan
(EINECS) number :237-172-3
chemidplus :013678676
EPA Substance Registry Services :13678-67-6

references :
 
2-(furan-2-ylmethylsulfanylmethyl)furan
fl. number :13.056
jecfa number :1080
NIST Chemistry WebBook :2724713085
pubchem :198048

other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 difurfuryl monosulfide
2-(furan-2-ylmethylsulfanylmethyl)furan
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

potential blenders :    note
 dibenzyl etherFL/FR
2,5-dihydroxy-1,4-dithianeFL
2,6-dimethyl thiophenolFL
2,5-dimethyl-3-furan thiolFL
 ethyl 4-(acetyl thio) butyrateFL
 fish thiolFL
 hexyl mercaptanFL
 leaf acetalFL/FR
 menthofuranFL/FR
 methyl 2-methyl-3-furyl disulfideFL
4-methyl 4-mercaptopentan-2-one 1% in pgFL/FR
tris(methyl thio) methaneFL
2-methyl-3-furyl tetrasulfideFL
1,9-nonane dithiolFL
1-nonen-3-olFL/FR
1,8-octane dithiolFL
3-octanolFL/FR
(3R)-1-octen-3-olFL/FR
1-octen-3-oneFL/FR
 octyl 2-furoateFL
 octyl acetateFL/FR
(E)-2-penten-1-ol 
 phenyl acetaldehyde dimethyl acetalFL/FR
2-phenyl propionaldehyde dimethyl acetalFL/FR
2-phenyl propionaldehyde ethylene glycol acetalFR
 pyrazinyl ethane thiolFL

potential uses :
 beef
 chicken
 chocolate cocoa
 coffee
 savory

natural occurrence in :    note
 coffee  

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