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methyl 3-methyl-1-butenyl disulfide
(1E)-3-methyl-1-(methyldisulfanyl)but-1-ene

Supplier Sponsors

Name:(1E)-3-methyl-1-(methyldisulfanyl)but-1-ene
CAS Number: 233666-09-6Picture of molecule3D/inchi
FDA UNII: U10N85EV9D
CoE Number:12218
XlogP3-AA:2.40 (est)
Molecular Weight:148.29164000
Formula:C6 H12 S2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
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Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
JECFA Food Flavoring:571 methyl 3-methyl-1-butenyl disulfide
DG SANTE Food Flavourings:12.218 methyl 3-methyl-1-butenyl disulfide
FEMA Number:3865 methyl 3-methyl-1-butenyl disulfide
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):233666-09-6 ; METHYL 3-METHYL-1-BUTENYL DISULFIDE
 
Physical Properties:
Appearance:pale yellow clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.83000 to 0.83500 @ 25.00 °C.
Pounds per Gallon - (est).: 6.906 to 6.948
Refractive Index:1.38000 to 1.39000 @ 20.00 °C.
Boiling Point: 86.00 to 87.00 °C. @ 21.00 mm Hg
Boiling Point: 178.00 to 179.00 °C. @ 760.00 mm Hg
Vapor Pressure:1.283000 mmHg @ 25.00 °C. (est)
Flash Point: 132.00 °F. TCC ( 55.56 °C. )
logP (o/w): 3.026 (est)
Soluble in:
 alcohol
 water, very slightly
 water, 71.87 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Parchem
methyl 3-methyl-1-butenyl disulfide
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
flavoring agents
Recommendation for methyl 3-methyl-1-butenyl disulfide usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/day)
Structure Class: I
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 Flavor Ingredient Library
publication number: 18
Click here to view publication 18
 average usual ppmaverage maximum ppm
baked goods: 0.060001.00000
beverages(nonalcoholic): 0.200002.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: 0.010000.04000
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: 0.100001.00000
granulated sugar: --
gravies: 0.100001.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.400004.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 5.000005.00000
snack foods: --
soft candy: --
soups: 0.020005.00000
sugar substitutes: --
sweet sauces: --
 
Safety References:
European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20
View page or View pdf

Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :57376046
National Institute of Allergy and Infectious Diseases:Data
(1E)-3-methyl-1-(methyldisulfanyl)but-1-ene
Chemidplus:0233666096
 
References:
 (1E)-3-methyl-1-(methyldisulfanyl)but-1-ene
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):57376046
Pubchem (sid):163642121
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB38890
FooDB:FDB018352
ChemSpider:View
FAO:Methyl 3-methyl-1-butenyl disulfide
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 disulfide, methyl 3-methyl-1-buten-1-yl
 methyl 3-methylbut-1-en-1-yl disulfide
 methyl methyl buten-1-yl disulfide
 methyl methyl butenyl disulfide
 methyl methylbutenyl disulfide
(1E)-3-methyl-1-(methyldisulfanyl)but-1-ene
3-methyl-1-(methyldisulfanyl)but-1-ene
3-methyl-1-methyldisulfanyl but-1-ene
 
 
Notes:
Flavouring ingredient
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