2-thienyl disulfide
 
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IUPAC name :2-thiophen-2-yldisulfanylthiophene
InChI :InChI=1/C8H6S4/c1-3-7(9-5-1)11-12-8-4-2-6-10-8/h1-6H
InChIKey :YOLFWWMPGNMXFI-UHFFFAOYAZ
SMILES :C1=CSC(=C1)SSC2=CC=CS2
cas number :6911-51-9
beilstein number :0147395
fema number :3323
coe number :2333
jecfa number :1053
fl. number :15.008
molar refractivity :63.77 ± 0.4 cm3
parachor :451.9 ± 6.0 cm3
index of refraction :1.736 ± 0.03
surface tension :65.8 ± 5.0 dyne/cm
density :1.45 ± 0.1 g/cm3
polarizability :25.28 ± 0.5 10-24cm3
xlogp : 2.60
molecular weight : 230.3932400
formula :C8 H6 S4
 
 
export tariff code :2934.90
fda reg :unspecified
 

Suppliers :
Sigma-Aldrich-SAFC :2-Thienyl disulfide
≥95%, Kosher
Treatt :2,2'-Dithiodithiophene

organoleptics :
odor type :rubbery
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in propylene glycol.  
rubbery

properties :
appearence :yellow to green crystals
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 55.00 to 60.00 °C. @ 760.00 mm Hg
boiling point : 325.00 to 326.00 °C. @ 760.00 mm Hg
logp : 3.77

safety :
most important hazard(s) : Xn - Harmful.
Oral Toxicity(LD50) : Gavage-Mouse   [sex: M,F]  400.00  mg/kg    (Moran et al., 1980)
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI-EU) :ND (μg/capita/day)
flash point ( Deg. F. ) :> 212.00  °F.  TCC  ( > 100.00 °C. )
recommendation for 2-thienyl disulfide usage levels up to :
 not for fragrance use.
recommendation for 2-thienyl disulfide usage levels up to :
  0.2000 ppm in the flavor.

safety links :
 
 
chemidplus :006911519
EPA Substance Registry Services :6911-51-9
NLM Chemical Carcinogenesis Research Information System :6911-51-9
NLM Developmental and Reproductive Toxicity :6911-51-9
NLM Env. Mutagen Info. Center :6911-51-9
NLM GENetic TOXicology :6911-51-9
EPI System :view

other :

references :
jecfa number :1053
fl. number :15.008
pubchem :165919
NIST Chemistry WebBook :3779195336
synonyms :
 di-2-thienyl disulfide
alpha,alpha'-dithienyl disulfide
2,2-dithiodithiophene
2-thienyl disulfide
2,2'-bis(thienyl) disulfide
2-thiophen-2-yl disulfanyl thiophene

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
2-acetyl-1-methyl pyrrole
2-acetyl-3-ethyl pyrazine
1-allyl-2,2,7,7-tetramethyl cycloheptanol
 amyl formate
isoamyl formate
 bean pyrazine
 benzyl disulfide
dextro-borneol
 bornyl formate
isobornyl formate
 butyl propionate
isobutyl quinoline
T-cadinol
 caryophyllene alcohol
alpha-caryophyllene alcohol
beta-caryophyllene alcohol
beta-caryophyllene alcohol acetate
 cortex pyridine
 cumin acetaldehyde
isocyclocitral
(E)-2-decen-1-al
3-decen-2-one
 dibenzyl ether
 dihydro-alpha-ionone
 dihydro-beta-ionone
 dimethyl dihydrocyclopentapyrazine
2-(1,1-dimethyl ethyl)-4-methyl cyclohexanol
2,3-dimethyl quinoxaline
(E+Z)-4,8-dimethyl-3,7-nonadien-2-yl acetate
 diphenyl disulfide
 dipropyl disulfide
 dodecanol
 earthy acetal
 earthy indane
2-ethyl fenchol
2-ethyl furan
5-ethyl-2-methyl pyridine
2-ethyl-3-methoxypyrazine
2-ethyl-4,5-dimethyl oxazole
alpha-fenchol
dextro-fenchone
 fern absolute
 filbert pyrazine
 floral methanol
 germacrene B
 green pea pyrazine
delta-heptalactone
 heptanal cyclic acetal with glycerol
 heptanal glyceryl acetal
 herbal ketone
 herbal norbornane
(E)-3-hexen-1-ol
(Z)-3-hexen-1-yl tiglate
6-hydroxydihydrotheaspirane (mixture of isomers)
 hydroxymethyl hexyl ethyl ketone
 indoletal
 leaf acetal
 lilac pentanol
 linalool oxide
(Z)-linalool oxide (furanoid)
isolongifolene ketone
 marine nitrile
 menthofuran
 methional
2-methoxy-3-propyl pyrazine
 methyl 10-undecenal
 methyl 2-hexenoate
 methyl 3-hexenoate
2-methyl anisole
2-methyl butyl isovalerate
 methyl cyclocitrone
 methyl furfuryl mercaptopropionate
 methyl hexyl ketone
2-methyl thio-3,5 or 6-methyl pyrazine
dextro,laevo-3-(methyl thio) butanone
tris(methyl thio) methane
 methyl undecylenate
2-methyl-3-buten-2-ol
2-methyl-3,(5 or 6)-ethoxypyrazine
2-methyl-4-phenyl butanal
2-nonanone
1-nonen-3-ol
 nutty pyrazine
(E)-1,5-octadien-3-ol
(Z)-1,5-octadien-3-ol
1,5-octadien-3-ol
1,5-octadien-3-one
1,8-octane dithiol
2-octanol
3-octanol
(Z)-4-octen-1-ol
3-octen-2-one
1-octen-3-ol
1-octen-3-one
 octyl 2-furoate
 octyl acetate
isooctyl acetate
 octyl isobutyrate
 oregano oleoresin
 orris hexanone
 patchouli indene
2-pentyl furan
 phenyl acetaldehyde 2,3-butylene glycol acetal
 phenyl acetaldehyde dimethyl acetal
2-phenyl propionaldehyde dimethyl acetal
2-phenyl propyl acetate
1-phenyl-2-pentanol
 pinacol
alpha-pinene
 potato butanone
2-propenyl-para-cymene
 propionaldehyde
 propyl 2-furoate
4-isopropyl quinoline
isopropyl quinoline
 propylene glycol acetone ketal
 spathulenol
 styralyl butyrate
beta-terpineol
ortho-thiocresol
 timber dioxolane
2-tridecanone
3,5,5-trimethyl hexanol
2,3,5-trimethyl pyrazine
 tropical thiazole
 tropical trithiane

natural occurrence in :
not found in nature



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