allyl methyl trisulfide
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IUPAC name :3-methylsulfanyldisulfanylprop-1-ene
InChI :InChI=1/C4H8S3/c1-3-4-6-7-5-2/h3H,1,4H2,2H3
InChIKey :JGMPRNFEEAJLAJ-UHFFFAOYAJ
SMILES :CSSSCC=C
cas number :34135-85-8
(EINECS) number :251-843-8
fema number :3253
coe number :11867
jecfa number :586
fl. number :12.045
molar refractivity :44.29 ± 0.3 cm3
parachor :332.2 ± 4.0 cm3
index of refraction :1.588 ± 0.02
surface tension :40.6 ± 3.0 dyne/cm
density :1.157 ± 0.06 g/cm3
polarizability :17.56 ± 0.5 10-24cm3
XlogP : 2.20
XlogP3-AA : 2.00
molecular weight : 152.3013200 (IUPAC)
formula :C4 H8 S3
NMR Predictor :Predict
 
 
IUPAC name :methylsulfanyldisulfanylmethane
InChI :InChI=1/C2H6S3/c1-3-5-4-2/h1-2H3
InChIKey :YWHLKYXPLRWGSE-UHFFFAOYAF
SMILES :CSSSC
cas number :3658-80-8
% from :10.00%
(EINECS) number :222-910-9
beilstein number :1731604
fema number :3275
coe number :539
jecfa number :582
fl. number :12.013
molar refractivity :35.30 ± 0.3 cm3
parachor :263.6 ± 4.0 cm3
index of refraction :1.598 ± 0.02
surface tension :42.2 ± 3.0 dyne/cm
density :1.220 ± 0.06 g/cm3
polarizability :13.99 ± 0.5 10-24cm3
XlogP : 1.80
molecular weight : 126.2640400 (IUPAC)
formula :C2 H6 S3
NMR Predictor :Predict
 
 
IUPAC name :3-prop-2-enylsulfanyldisulfanylprop-1-ene
InChI :InChI=1/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-6H2
InChIKey :UBAXRAHSPKWNCX-UHFFFAOYAC
SMILES :C=CCSSSCC=C
cas number :2050-87-5
% from :6.00%
(EINECS) number :218-107-8
beilstein number :1745734
fema number :3265
coe number :486
jecfa number :587
fl. number :12.009
molar refractivity :53.28 ± 0.3 cm3
parachor :400.8 ± 4.0 cm3
index of refraction :1.581 ± 0.02
surface tension :39.7 ± 3.0 dyne/cm
density :1.116 ± 0.06 g/cm3
polarizability :21.12 ± 0.5 10-24cm3
XlogP : 2.50
molecular weight : 178.3386000 (IUPAC)
formula :C6 H10 S3
BioActivity Analysis :505525
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Frutarom :ALLYL METHYL TRISULPHIDE
≥40.00%, NI, Kosher
Odor:  Alliaceous, Creamy, Garlic, Onion
Nanjing :allyl methyl trisulfide
Penta :allyl methyl trisulfide
organoleptics :
odor type :sulfurous
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in propylene glycol.  		alliaceous creamy garlic onion
properties :
appearence :yellow clear liquid
assay : 40.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.10000 to 1.16000 @ 20.00 °C.
pounds per gallon - calc. : 9.164 to 9.664
refractive index :1.58000 to 1.61000 @ 20.00 °C.
refractive index :1.59300 to 1.60300 @ 21.00 °C.
boiling point : 47.00 °C. @ 0.80 mm Hg
vapor pressure :0.05000 mm/Hg @ 25.00 °C.
flash point : 90.00  °F.  TCC  ( 32.22 °C. )
logP (o/w) : 2.72
safety :
most important hazard(s) :Xi - Irritant
  R 10 - Flammable.
R 36/37 - Irritating to eyes and respiratory system.
S 02 - Keep out of the reach of children.
S 23 - Do not breath vapour.
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 :
Maximised Survey-derived Daily Intakes (MSDI-EU) :ND (μg/capita/day)
 
IFRA purity specification :< 0.1% free allyl alcohol
recommendation for allyl methyl trisulfide usage levels up to :
 not for fragrance use.
recommendation for allyl methyl trisulfide usage levels up to :
  2.0000 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
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
Canada Domestic Sub. List :Yes
WISER :UN 1993
 
 
 
 3-methylsulfanyldisulfanylprop-1-ene
(EINECS) number :251-843-8
chemidplus :034135858
EPA Substance Registry Services :34135-85-8
 
 
 methylsulfanyldisulfanylmethane
(EINECS) number :222-910-9
chemidplus :003658808
EPA Substance Registry Services :3658-80-8
dtp/nci :97324
 
 
 3-prop-2-enylsulfanyldisulfanylprop-1-ene
(EINECS) number :218-107-8
chemidplus :002050875
EPA Substance Registry Services :2050-87-5
dtp/nci :651936
references :
 3-methylsulfanyldisulfanylprop-1-ene
fl. number :12.045
jecfa number :586
NIST Chemistry WebBook :2647908370
pubchem :198324
 methylsulfanyldisulfanylmethane
fl. number :12.013
jecfa number :582
NIST Chemistry WebBook :3635343511
pubchem :162244
 3-prop-2-enylsulfanyldisulfanylprop-1-ene
fl. number :12.009
jecfa number :587
NIST Chemistry WebBook :199037479
pubchem :159574
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 methyl 2-propenyl trisulfide
 methyl allyl trisulfide
3-methylsulfanyldisulfanylprop-1-ene
soluble in :
 alcohol
 water, slightly
insoluble in :
 water
(odor and/or flavor) blends with :
 allyl disulfide
 allyl methyl disulfide
 allyl methyl sulfide
 allyl propyl disulfide
 allyl propyl trisulfide
 allyl thiopropionate
isoamyl mercaptan
 asafetida absolute
 benzyl mercaptan
1,3-butane dithiol
 cyclopentyl mercaptan
 diallyl polysulfides
 diallyl tetrasulfide
 diallyl trisulfide
 dicyclohexyl disulfide
 diethyl trisulfide
 dimethyl tetrasulfide
 dipropyl sulfide
 ethyl 3-(furfuryl thio) propionate
 ethyl methyl trisulfide
 ethyl propyl disulfide
 ethyl propyl trisulfide
 furfuryl methyl sulfide
 garlic oil china
 garlic oleoresin
 methyl 3-mercaptobutanoate
bis(methyl thio) methane
 onion oleoresin
 phenyl mercaptan
isopropyl disulfide
isopropyl mercaptan
3-tetrahydrothiophenone
 tonka bean oleoresin
(odor and/or flavor) used in :
 coffee
 fruit tropical fruit
 garlic
 onion
natural occurrence in :
allium rictorialis (caucas)



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