bis(2-methyl-3-furyl) disulfide
 
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IUPAC name :2-methyl-3-(2-methylfuran-3-yl)disulfanylfuran
InChI :InChI=1/C10H10O2S2/c1-7-9(3-5-11-7)13-14-10-4-6-12-8(10)2/h3-6H,1-2H3
InChIKey :OHDFENKFSKIFBJ-UHFFFAOYAZ
SMILES :CC1=C(C=CO1)SSC2=C(OC=C2)C
cas number :28588-75-2
(EINECS) number :249-095-2
fema number :3259
coe number :723
jecfa number :1066
fl. number :13.016
molar refractivity :61.70 ± 0.4 cm3
parachor :469.2 ± 6.0 cm3
index of refraction :1.622 ± 0.03
surface tension :51.7 ± 5.0 dyne/cm
density :1.29 ± 0.1 g/cm3
polarizability :24.46 ± 0.5 10-24cm3
XlogP : 2.20
molecular weight : 226.3152000
formula :C10 H10 O2 S2
 
 
export tariff code :2932.19.0000
fda reg :unspecified

Suppliers :
Advanced Biotech :bis (2-methyl 3-furyl) disulfide
1% min. (in triethyl citrate) natural
Odor:  Roasted
Fontarome :Bis (2-METHYL-3-FURYL) DISULFIDE
Odor:  Roast meat
Frutarom :BIS(2-METHYL-3-FURYL)DISULPHIDE
≥98.00%, NI, Kosher
Odor:  Beefy, Cooked, Meaty
Penta :bis(2-methyl-3-furyl) disulfide
Sigma-Aldrich-SAFC :Bis(2-methyl-3-furyl)disulfide
98%

organoleptics :
odor type :meaty
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in propylene glycol.  
meaty roasted scallion onion sulfury

properties :
appearence :pale yellow to amber clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.20700 to 1.21500 @ 20.00 °C.
pounds per gallon - calc. :10.055 to 10.122
refractive index :1.57200 to 1.58300 @ 20.00 °C.
boiling point : 277.00 to 280.00 °C. @ 760.00 mm Hg
flash point :> 210.00  °F.  TCC  ( > 98.89 °C. )
logP (o/w) : 3.65
shelf life : 12.00 month(s) or longer if stored properly.
storage :refrigerate in tightly sealed containers.

safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
R 41 - Risk of serious damage to eyes.
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 37/39 - Wear suitable gloves and eye/face protection.
Oral Toxicity(LD50) :
  Gavage-Mouse   [sex: M,F]  106.00  mg/kg
(Oser, 1969b)

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.27 (μg/capita/day)
 
recommendation for bis(2-methyl-3-furyl) disulfide 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
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 2-methyl-3-(2-methylfuran-3-yl)disulfanylfuran
(EINECS) number :249-095-2
chemidplus :028588752
EPA Substance Registry Services :28588-75-2

references :
 2-methyl-3-(2-methylfuran-3-yl)disulfanylfuran
fl. number :13.016
jecfa number :1066
NIST Chemistry WebBook :4099087506
pubchem :10517056

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
3,3-dithio-2,2-dimethyl difuran
3,3-dithiobis(2-methyl furan)
3,3'-dithiobis(2-methyl furan)
2-methyl-3-(2-methylfuran-3-yl)disulfanylfuran
2-methyl-3-furyl disulfide

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 benzyl methyl sulfide
1,2-butane dithiol
 celery seed oleoresin
2,5-dihydroxy-1,4-dithiane
2,5-dimethyl furan
2,5-dimethyl pyrazine
2,6-dimethyl pyrazine
2,4-dimethyl thiazole
2,6-dimethyl thiophenol
3,7-dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
2,4-dimethyl-3-oxazoline
(Z+E)-2,5-dimethyl-3-tetrahydrofuran thiol
(Z+E)-2,5-dimethyl-3-thioacetoxytetrahydrofuran
2,5-dimethyl-3-thiofuroyl furan
1,1-ethane dithiol 1% in ethanol
 meaty dithiane
3-mercapto-2-butanone
(R*,S*)-2-mercapto-3-butanol
2-mercapto-3-pentanone
 methyl 2-methyl-3-furyl disulfide
2-methyl 3-(methyl thio) furan 10% in triacetin
12-methyl tridecanal
2-methyl-1-methyl thio-2-butene
3-methyl-2-butane thiol
2-methyl-3-(methyl thio) pyrazine
S-(2-methyl-3-furyl) ethane thioate
3-((2-methyl-3-furyl)thio)-4-heptanone
2-methyl-3-tetrahydrofuran thiol
2-naphthyl mercaptan
 nutty thiazole
 propyl 2-mercaptopropionate
isopropyl mercaptan
2-pyridinyl methane thiol
 roasted butanol
 sulfurol
 sulfuryl acetate
 thialdine
1-(2-thienyl) butanone
2,4,5-trimethyl oxazole

(odor and/or flavor) used in :
 beef
 broth
 chocolate cocoa
 coffee
 garlic
 meat roasted meat
 nut peanut butter
 onion

natural occurrence in :
beef cooked beef
tea



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