2-methyl-1-methyl thio-2-butene
organoleptics  properties  safety  references    FEMA Index    Home Page
 
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IUPAC name :(E)-2-methyl-1-methylsulfanylbut-2-ene
InChI :InChI=1/C6H12S/c1-4-6(2)5-7-3/h4H,5H2,1-3H3/b6-4+
InChIKey :PBWZEERIWACABP-GQCTYLIABW
SMILES :C\C=C(/C)\CSC
cas number :89534-74-7
fema number :4173
jecfa number :1683
fl. number :12.265
molar refractivity :37.74 ± 0.3 cm3
parachor :304.9 ± 4.0 cm3
index of refraction :1.471 ± 0.02
surface tension :26.0 ± 3.0 dyne/cm
density :0.861 ± 0.06 g/cm3
polarizability :14.96 ± 0.5 10-24cm3
XlogP : 2.00
molecular weight : 116.2244800 (IUPAC)
formula :C6 H12 S
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
organoleptics :
odor description:
cooked roasted meaty
properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.85900 to 0.86400 @ 25.00 °C.
pounds per gallon - calc. : 7.148 to 7.189
refractive index :1.46800 to 1.47400 @ 0.00 °C.
boiling point : 78.00 °C. @ 760.00 mm Hg
flash point : 89.00  °F.  TCC  ( 31.67 °C. )
logP (o/w) : 2.75
safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for 2-methyl-1-methyl thio-2-butene fragrance usage levels up to :
 not for fragrance use.
 
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.
publication number : 22
 average usual ppmaverage maximum ppm
baked goods : --
beverages(nonalcoholic) : --
beverages(alcoholic) : --
breakfast cereal : --
cheese : --
chewing gum : --
condiments / relishes : 0.100000.25000
confectionery froastings : --
egg products : --
fats / oils : --
fish products : --
frozen dairy : --
fruit ices : --
gelatins / puddings : --
granulated sugar : --
gravies : 0.100000.25000
hard candy : --
imitation dairy : --
instant coffee / tea : --
jams / jellies : --
meat products : 0.100000.25000
milk products : --
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 0.100000.25000
snack foods : 0.100000.25000
soft candy : --
soups : 0.100000.25000
sugar substitutes : --
sweet sauces : --
safety references :
EPI System :view
 
 
 
 
(E)-2-methyl-1-methylsulfanylbut-2-ene
chemidplus :89534-74-7
EPA Substance Registry Services :89534-74-7
references :
 
(E)-2-methyl-1-methylsulfanylbut-2-ene
fl. number :12.265
jecfa number :1683
pubchem :10326096
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 methyl 2-methyl-2-butenyl sulfide
2-methyl-1-methyl sulfanyl but-2-ene
(E)-2-methyl-1-methylsulfanylbut-2-ene
2-methyl-1-methylthio-2-butene
soluble in :
 alcohol
 water, very slightly
insoluble in :
 water
potential blenders :
4-acetyl-2-methyl pyrimidineFL
4-allyl-2,6-dimethoxyphenolFL
4-aminobutyric acidFL
 amyl mercaptanFL
 bacon dithiazineFL
1,3-butane dithiolFL
2,3-butane dithiolFL
2-(2-butyl)-4,5-dimethyl-3-thiazolineFL
 butyraldehydeFL
 coffee difuranFL
 cyclopropyl (E,Z)-2,6-nonadienamideFL
2,5-diethyl thiazoleFL
3,5-diethyl-2-methyl pyrazineFL
2,5-diethyl-3-methyl pyrazineFL
 difurfuryl sulfideFL
2,5-dihydroxy-1,4-dithianeFL
N-(2,4-dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamideFL
N-(2-(3,4-dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amideFL
2,5-dimethyl furanFL
 dimethyl tetrasulfideFL
2,6-dimethyl thiophenolFL
 dimethyl trisulfideFL
4,5-dimethyl-2-ethyl-3-thiazolineFL
3,7-dimethyl-2,6-octadien-1-yl cyclopropyl carboxamideFL
2,6-dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanoneFL
2,5-dimethyl-3-furan thiolFL
bis(2,5-dimethyl-3-furyl) disulfideFL
2,5-dimethyl-3-thiofuroyl furanFL
1,1-ethane dithiol 1% in ethanolFL
 ethyl (E,Z)-2,6-nonadienamideFL
S-ethyl 2-acetyl aminoethane thioateFL
 ethyl 3-mercaptopropionateFL
 ethyl 4-(acetyl thio) butyrateFL
S-ethyl thioacetateFL
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazolineFL
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazolineFL
 fish thiolFL
 furfuryl isopropyl sulfideFL
4-furfuryl thio-2-pentanoneFL
 hazelnut pyrazineFL/FR
N-(heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamideFL
1,6-hexane dithiolFL
 hexyl mercaptanFL
 meaty dithianeFL
4-mercapto-2-pentanone 1% in acetoinFL
2-mercapto-3-pentanoneFL
2-mercaptomethyl pyrazineFL
2-mercaptopropionic acidFL
N1-(2-methoxy-4-methyl benzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamideFL
N1-(2-methoxy-4-methyl benzyl)-N2-2(2-(5-methyl pyridin-2-yl)ethyl) oxalamideFL
 methyl 2-methyl-3-furyl disulfideFL
2-methyl 3-(methyl thio) furan 10% in triacetinFL
4-methyl 4-mercaptopentan-2-one 1% in pgFL/FR
 methyl dihydrofuran thiolFL
4-methyl nonanoic acidFL
2-methyl pyrazineFL
2-methyl thiazolidineFL
2-(methyl thio) ethanolFL
12-methyl tridecanalFL
3-methyl-2-butane thiolFL
2-methyl-3-(methyl thio) pyrazineFL
2-methyl-3-furyl tetrasulfideFL
bis(2-methyl-3-furyl) disulfideFL
S-(2-methyl-3-furyl) ethane thioateFL
3-((2-methyl-3-furyl)thio)-4-heptanoneFL
4-((2-methyl-3-furyl)thio)-5-nonanoneFL
2-methyl-3-tetrahydrofuran thiolFL
2-naphthyl mercaptanFL
1,9-nonane dithiolFL
 nutty thiazoleFL
1,8-octane dithiolFL
 peanut dithiazineFL/FR
1-phenethyl mercaptanFL
1,3-propane dithiolFL
2-propionyl-2-thiazolineFL
 propyl 2-mercaptopropionateFL
 propyl 2-methyl-3-furyl disulfideFL
isopropyl disulfideFL
isopropyl mercaptanFL
 pyrazinyl ethane thiolFL
2-pyridinyl methane thiolFL
 pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazineFL
 roasted butanolFL
 rum etherFL
 sulfuryl acetateFL
3-tetrahydrothiophenoneFL
 thialdineFL
 thiazoleFL
3-thienyl mercaptanFL
1-(2-thienyl) butanoneFL
ortho-thiocresolFL
 thioguaiacolFL
 tyramineFL
potential uses :
 meat
natural occurrence in :
 found in nature  



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