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2-methyl-1-methyl thio-2-butene

Chemical Structure

General Material Information

Preferred name 2-methyl-1-methyl thio-2-butene
Trivial Name 2-Methyl-1-(methylthio)-2-butene
Short Description 2-methyl-1-methylthio-2-butene
Formula C6 H12 S
CAS Number 89534-74-7
FEMA Number 4173
Flavis Number 12.265
FDA UNII B81KIE20DF
Nikkaji Number J1.779.522H
xLogP3-AA 2.40 (est)
NMR Predictor External link
JECFA Food Flavoring 1683 2-methyl-1-methylthio-2-butene
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 89534-74-7 ; 2-METHYL-1-METHYLTHIO-2-BUTENE
Synonyms
  • 2-butene, 2-methyl-1-(methylthio)-
  • methyl 2-methyl-2-butenyl sulfide
  • methyl 2-methylbut-2-en-1-yl sulfide
  • methyl 2-methylbut-2-en-1-yl sulphide
  • 2-methyl-1-(methylthio)-2-butene
  • 2-methyl-1-(methylthio)but-2-ene
  • 2-methyl-1-methyl sulfanyl but-2-ene
  • (E)-2-methyl-1-methylsulfanylbut-2-ene
  • 2-methyl-1-methylthio-2-butene
  • (E)-2-methyl-1-methylsulfanylbut-2-ene
  • 2-Butene, 2-methyl-1-(methylthio)-
  • Sulfide, methyl 2-methyl-2-butenyl
  • 2-Methyl-1-(methylthio)-2-butene

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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):HMDB32411
FooDB:FDB009849
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 116.22663879395
Specific gravity @ 25 °C
Pounds per Gallon 7.148 to 7.189
Refractive Index 1.468 to 1.474 @ 20 °C
Vapor Pressure 6.679 mmHg @ 25 °C
Flash Point TCC Value 31.67 °C TCC
logP (o/w) 2.753 est
Solubility
alcohol Yes
water, very slightly Yes
water, 487.9 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Meaty
cooked, roasted, meaty
General comment At 0.10 % in propylene glycol. cooked roasted meaty

Potential Uses

Applications
Flavoring purposes Meat

Safety Information

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 2-methyl-1-methyl thio-2-butene usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.10 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): ND (μg/person/day)
NOEL (No Observed Effect Level): 250 (mg/kg bw per day)
Threshold of Concern:1800 (μg/person/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: 22
Click here to view publication 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

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 91 (FGE.91): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev1 (2009)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 91, Revision 1 (FGE.91Rev1): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev3 (2011)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 91, Revision 2 (FGE.91Rev2): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by the JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev5 (2012)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 91, Revision 3 (FGE.91Rev3): consideration of aliphatic, aromatic and a,ß-unsaturated sulfides and thiols evaluated by JECFA (53rd, 61st, 68th and 76th meetings), structurally related to substances in FGE.08Rev5
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 :5362832
National Institute of Allergy and Infectious Diseases:Data
(E)-2-methyl-1-methylsulfanylbut-2-ene
Chemidplus:0089534747