1-(methyl thio)-1-butene
1-butenyl methyl sulfide
 
Notes:
Food flavouring ingredient. Present in roasted peanuts
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      Product(s):
      32951-19-2 1-(Butenyl-1)methylsulphide
       
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CAS Number: 32951-19-2Picture of molecule3D/inchi
FDA UNII: PI166QHN3H
XlogP3-AA: 2.00 (est)
Molecular Weight: 102.19970000
Formula: C5 H10 S
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
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 457  (1-buten-1-yl) methyl sulfide
DG SANTE Food Flavourings: 12.211  but-1-enyl methyl sulphide
FEMA Number: 3820 1-butenyl methyl sulfide
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):32951-19-2 ; 1-BUTEN-1-YL METHYL SULFIDE
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Physical Properties:
Appearance: pale yellow clear liquid (est)
Assay: 98.00 to 100.00 % sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 0.94300 to 0.94800 @  25.00 °C.
Pounds per Gallon - (est).: 7.847 to  7.888
Refractive Index: 1.39300 to 1.41300 @  20.00 °C.
Boiling Point: 123.00 to  125.00 °C. @ 760.00 mm Hg
Vapor Pressure: 13.088000 mmHg @ 25.00 °C. (est)
Flash Point: 75.00 °F. TCC ( 23.90 °C. ) (est)
logP (o/w): 2.916 (est)
Soluble in:
 alcohol
 water, 874.8 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Description:
sulfurous
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Axsyn
For experimental / research use only.
1-Butene,1-(methylthio)-
BOC Sciences
For experimental / research use only.
1-(Butenyl-1)methylsulphide
Parchem
1-buten-1-yl methyl sulfide
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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
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Safety in Use Information:
Category: flavoring agents
Recommendation for 1-(methyl thio)-1-butene 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: --
sugar substitutes: --
sweet sauces: --
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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 : 5368103
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 1-methylsulfanylbut-1-ene
Chemidplus: 0032951192
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References:
 1-methylsulfanylbut-1-ene
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 5368103
Pubchem (sid): 135279192
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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): HMDB38892
FooDB: FDB018354
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
FAO: (1-Buten-1-yl) methyl sulfide
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Potential Blenders and core components note
 
For Odor
No odor group found for these
 sulfuryl octanoateFL/FR
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
 sulfuryl propionateFL/FR
 valeraldehyde dibutyl acetalFL/FR
 valeraldehyde propylene glycol acetalFL/FR
animal
4-ethoxyphenolCS
balsamic
 propyl benzoateFL/FR
bready
 coffee furanoneFL/FR
buttery
 acetyl propionylFL/FR
3,4-hexane dioneFL/FR
camphoreous
 bornyl isobutyrateFL/FR
caramellic
 ethyl 2-hydroxy-2-methyl butyrateFL/FR
chocolate
 chocolate pyrazine AFL/FR
 cocoa hexenalFL/FR
2,5-dimethyl pyrazineFL/FR
2-methoxy-3-methyl pyrazineFL/FR
2-methoxypyrazineFL/FR
cocoa
2-methyl butyraldehydeFL/FR
coconut
alpha-angelica lactoneFL/FR
gamma-heptalactoneFL/FR
 popcorn pyrimidineFL/FR
coumarinic
 coumaneFL/FR
 tonka bean resinoidFR
earthy
2-ethyl-3-methoxypyrazineFL/FR
 nutty pyrazineFL/FR
fatty
 coconut absoluteFL/FR
fermented
 valeraldehydeFL/FR
floral
 boronia butenalFR
para-cresyl laurateFL/FR
ortho-methyl acetophenoneFL/FR
fruity
 allyl 2-ethyl butyrateFL/FR
isoamyl nonanoateFL/FR
 methyl valerateFL/FR
3-methyl-2-butenalFL/FR
 tropical thiazoleFL/FR
2-heptyl furanFL/FR
(E,Z)-2,6-nonadien-1-yl acetateFL/FR
herbal
 saffron pyranoneFR
musty
2-acetyl pyrroleFL/FR
3-acetyl-2,5-dimethyl furanFL/FR
 hazelnut pyrazineFL/FR
 menthofuranFL/FR
naphthyl
ortho-methyl anisoleFL/FR
para-methyl anisoleFL/FR
nutty
3-acetyl pyridineFL/FR
2-acetyl-3-ethyl pyrazineFL/FR
2-acetyl-3-methyl pyrazineFL/FR
2-acetyl-3,5-dimethyl pyrazineFL/FR
2-acetyl-5-methyl furanFL/FR
3,6-cocoa pyrazineFL/FR
3,5-cocoa pyrazineFL/FR
2,3-dimethyl pyrazineFL/FR
4,5-dimethyl-2-ethyl-3-thiazolineFL/FR
2-ethyl pyrazineFL/FR
2-ethyl-4-methyl thiazoleFL/FR
 filbert heptenoneFL/FR
 filbert pyrazineFL/FR
2,6-lutidineFL/FR
 maraniolCS
2-methyl pyrazineFL/FR
5-methyl quinoxalineFL/FR
2-methyl thio-3,5 or 6-methyl pyrazineFL/FR
2-methyl-3-(methyl thio) pyrazineFL/FR
2-methyl-3-ethoxypyrazineFL/FR
2-methyl-3-propyl pyrazineFL/FR
 nutty cyclohexenoneFL/FR
 nutty quinoxalineFL/FR
 shoyu pyrazineFL/FR
2,3,5,6-tetramethyl pyrazineFL/FR
2,4,5-trimethyl oxazoleFL/FR
2,3,5-trimethyl pyrazineFL/FR
 vinyl sulfurolFL/FR
popcorn
2-acetyl pyrazineFL/FR
2-acetyl thiazoleFL/FR
roasted
2-acetyl-2-pyrroline 
spicy
3-(2-furyl) acroleinFL/FR
sulfurous
 benzothiazoleFL/FR
 furfuryl thioacetateFL/FR
tobacco
 veltonal (Bedoukian)FR
tonka
 coumarinFR
 tonka bean absoluteFR
 whiskey lactoneFL/FR
waxy
 butyl laurateFL/FR
woody
 cedrenyl acetateFR
2-methoxy-4-vinyl phenolFL/FR
 
For Flavor
 
No flavor group found for these
2-acetyl-2-pyrroline 
 bornyl isobutyrateFL/FR
2(4)-isobutyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazineFL
 butyramideFL
 chocolate pyrazine AFL/FR
 chocolate pyrazine BFL
 coumaneFL/FR
 cyclohexyl methyl pyrazineFL
2,5-diethyl thiazoleFL
2,5-diethyl-4-methyl thiazoleFL
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazineFL
 dimethyl dihydrocyclopentapyrazineFL
2,5-dimethyl thiazoleFL
 ethyl 2-hydroxy-2-methyl butyrateFL/FR
2-ethyl-3-methoxypyrazineFL/FR
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazolineFL
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazolineFL
3-(2-furyl) acroleinFL/FR
(E,E)-2,4-heptadien-1-olFL
2-hexyl-5 or 6-keto-1,4-dioxaneFL
2-methoxypyrazineFL/FR
 methyl 2-(methyl thio) acetateFL
2-methyl-3-(methyl thio) pyrazineFL/FR
2-methyl-3-ethoxypyrazineFL/FR
 peanut dithiazineFL
2-propyl pyridineFL
para-salicylic acidFL
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
 valeraldehyde propylene glycol acetalFL/FR
5-acetyl-2,3-dihydro-1,4-thiazineFL
 sulfuryl formateFL
 sulfuryl octanoateFL/FR
 sulfuryl propionateFL/FR
 valeraldehyde dibutyl acetalFL/FR
alliaceous
2-methyl thioacetaldehydeFL
 tropical thiazoleFL/FR
anisic
ortho-methyl acetophenoneFL/FR
bready
2-propionyl thiazoleFL
burnt
2-methyl quinoxalineFL
2,4,5-trimethyl oxazoleFL/FR
buttery
 butyroinFL
3,4-hexane dioneFL/FR
camphoreous
ortho-methyl anisoleFL/FR
cocoa
 cocoa hexenalFL/FR
coffee
 difurfuryl etherFL
2-ethyl-4-methyl thiazoleFL/FR
2-isopropyl pyrazineFL
corn chip
2-acetyl thiazoleFL/FR
2-acetyl-2-thiazolineFL
 popcorn pyrimidineFL/FR
creamy
alpha-angelica lactoneFL/FR
earthy
2-methyl-3-propyl pyrazineFL/FR
ethereal
 allyl 2-ethyl butyrateFL/FR
fatty
 coconut absoluteFL/FR
(E,E)-2,4-decadienalFL
2-heptyl furanFL/FR
(E,E)-2,4-nonadienalFL
fishy
4,5-dimethyl thiazoleFL
2,4-hexadien-1-olFL
 methyl valerateFL/FR
3-methyl-2-butenalFL/FR
 propyl benzoateFL/FR
fusel
2-methyl butyraldehydeFL/FR
green
 dihydroxyacetophenone (mixed isomers)FL
2,5-dimethyl thiopheneFL
4-methyl thiazoleFL
2-methyl-5-isopropyl pyrazineFL
(E,Z)-2,6-nonadien-1-yl acetateFL/FR
2-vinyl pyrazineFL
lactonic
gamma-heptalactoneFL/FR
meaty
 benzothiazoleFL/FR
musty
2,5-dimethyl pyrazineFL/FR
2-ethoxythiazoleFL
 hazelnut pyrazineFL/FR
 menthofuranFL/FR
 propionaldehydeFL
 shoyu pyrazineFL/FR
2,3,5-trimethyl pyrazineFL/FR
naphthyl
para-methyl anisoleFL/FR
nutty
3-acetyl pyridineFL/FR
2-acetyl pyrroleFL/FR
3-acetyl-2,5-dimethyl furanFL/FR
2-acetyl-3-ethyl pyrazineFL/FR
2-acetyl-3-methyl pyrazineFL/FR
2-acetyl-3,5-dimethyl pyrazineFL/FR
2-acetyl-5-methyl furanFL/FR
3,5-cocoa pyrazineFL/FR
3,6-cocoa pyrazineFL/FR
 coffee furanoneFL/FR
3,5-diethyl-2-methyl pyrazineFL
2,5-diethyl-3-methyl pyrazineFL
2,3-dimethyl pyrazineFL/FR
4,5-dimethyl-2-ethyl-3-thiazolineFL/FR
2,4-dimethyl-5-vinyl thiazoleFL
2-ethyl pyrazineFL/FR
1-ethyl-2-acetyl pyrroleFL
 filbert heptenoneFL/FR
 filbert pyrazineFL/FR
european hazelnut oleoresinFL
2,6-lutidineFL/FR
2-methoxy-3-methyl pyrazineFL/FR
2-methyl pyrazineFL/FR
5-methyl quinoxalineFL/FR
2-methyl thio-3,5 or 6-methyl pyrazineFL/FR
 nutty cyclohexenoneFL/FR
 nutty pyrazineFL/FR
 nutty quinoxalineFL/FR
 nutty thiazoleFL
 peanut oxazoleFL
2,3,5,6-tetramethyl pyrazineFL/FR
 vinyl sulfurolFL/FR
popcorn
2-propionyl-2-thiazolineFL
roasted
2-acetyl pyrazineFL/FR
 furfuryl thioacetateFL/FR
smoky
2-methoxy-4-vinyl phenolFL/FR
toasted
 acetyl propionylFL/FR
waxy
 butyl laurateFL/FR
para-cresyl laurateFL/FR
winey
isoamyl nonanoateFL/FR
5-ethyl-2-methyl pyridineFL
 valeraldehydeFL/FR
 whiskey lactoneFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 peanut roasted peanut
Search Trop  Picture
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Synonyms:
 but-1-en-1-yl methyl sulfide
 but-1-enyl methyl sulphide
1-buten-1-yl methyl sulfide
(1-buten-1-yl) methyl sulfide
1-butene, 1-(methylthio)-
1-butenyl methyl sulfide
(1-butenyl-1)methylsulphide
1-(methylsulfanyl)but-1-ene
1-methylsulfanylbut-1-ene
1-(methylthio)-1-butene
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