bis(2,5-dimethyl-3-furyl) disulfide
 
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IUPAC name :3-(2,5-dimethylfuran-3-yl)disulfanyl-2,5-dimethylfuran
InChI :InChI=1/C12H14O2S2/c1-7-5-11(9(3)13-7)15-16-12-6-8(2)14-10(12)4/h5-6H,1-4H3
InChIKey :JDWCALSZHJBMIQ-UHFFFAOYAK
SMILES :CC1=CC(=C(O1)C)SSC2=C(OC(=C2)C)C
(EINECS) number :249-093-1
cas number :28588-73-0
fema number :3476
coe number :722
jecfa number :1067
fl. number :13.015
molar refractivity :70.94 ± 0.4 cm3
parachor :545.8 ± 6.0 cm3
index of refraction :1.602 ± 0.03
surface tension :48.5 ± 5.0 dyne/cm
density :1.23 ± 0.1 g/cm3
polarizability :28.12 ± 0.5 10-24cm3
xlogp : 2.60
molecular weight : 254.3683600
formula :C12 H14 O2 S2
 
 
export tariff code :2932.19.0000
fda reg :unspecified
 

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

properties :
appearence :amber clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.14000 to 1.15200 @ 25.00 °C.
pounds per gallon - calc. : 9.486 to 9.586
refractive index :1.54800 to 1.56800 @ 20.00 °C.
boiling point : 110.00 to 111.00 °C. @ 1.00 mm Hg
logp : 4.57

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.012 (μg/capita/day)
flash point ( Deg. F. ) :> 212.00  °F.  TCC  ( > 100.00 °C. )
recommendation for bis(2,5-dimethyl-3-furyl) disulfide usage levels up to :
 not for fragrance use.

safety links :
 
 
(EINECS) number :249-093-1
chemidplus :028588730
EPA Substance Registry Services :28588-73-0
NLM Chemical Carcinogenesis Research Information System :28588-73-0
NLM Developmental and Reproductive Toxicity :28588-73-0
NLM Env. Mutagen Info. Center :28588-73-0
NLM GENetic TOXicology :28588-73-0
EPI System :view

other :

references :
jecfa number :1067
fl. number :13.015
pubchem :204972
synonyms :
bis(2,5-dimethyl-3-furyl) disulfide
3-((2,5-dimethyl-3-furyl)disulfanyl)-2,5-dimethyl furan
3,3,1-dithiobis(2,5-dimethyl furan)
3,3'-dithiobis(2,5-dimethyl furan)

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
2,6-dimethyl thiophenol
3,7-dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
2,5-dimethyl-3-thiofuroyl furan
1,1-ethane dithiol 1% in ethanol
2-mercapto-3-pentanone
2-methyl-1-methyl thio-2-butene
2-methyl-3-(methyl thio) pyrazine
S-(2-methyl-3-furyl) ethane thioate
3-((2-methyl-3-furyl)thio)-4-heptanone
 nutty thiazole
 propyl 2-mercaptopropionate
2-pyridinyl methane thiol
 roasted butanol
 thialdine

(odor and/or flavor) used in :
 beef
 meat

natural occurrence in :
not found in nature



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