| Name: | (E)-2-methyl-1-methylsulfanylbut-2-ene |
| CAS Number: | 89534-74-7 |  3D/inchi
|
| FDA UNII: | B81KIE20DF |
| Nikkaji Web: | J1.779.522H |
| XlogP3-AA: | 2.40 (est) |
| Molecular Weight: | 116.22664000 |
| Formula: | C6 H12 S |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) |
| EFSA/JECFA Comments: |
| (Flavour Industry, 2007j). Industry has informed:
99.3 % (E)-isomer, 0.2% (Z)-isomer, 0.2 % 1-methylthio-2-propanone, 0.1% methyl 2-methyl-2-butenoate, 0.2 % unknown.
Register name to be changed to (E)-2-Methyl-1-methylthio-2-butene. |
Category:flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 99.30 to 100.00
|
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.85900 to 0.86400 @ 25.00 °C.
|
| Pounds per Gallon - (est).: | 7.148 to 7.189
|
| Refractive Index: | 1.46800 to 1.47400 @ 20.00 °C.
|
| Boiling Point: | 78.00 °C. @ 760.00 mm Hg
|
| Vapor Pressure: | 6.679000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 89.00 °F. TCC ( 31.67 °C. )
|
| logP (o/w): | 2.753 (est) |
| Soluble in: |
| | alcohol | | | water, very slightly | | | water, 487.9 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
Organoleptic Properties:
| Odor Type: meaty |
| cooked roasted meaty |
| Odor Description:at 0.10 % in propylene glycol. cooked roasted meaty |
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
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 ppm | average maximum ppm |
| baked goods: | - | - |
| beverages(nonalcoholic): | - | - |
| beverages(alcoholic): | - | - |
| breakfast cereal: | - | - |
| cheese: | - | - |
| chewing gum: | - | - |
| condiments / relishes: | 0.10000 | 0.25000 |
| confectionery froastings: | - | - |
| egg products: | - | - |
| fats / oils: | - | - |
| fish products: | - | - |
| frozen dairy: | - | - |
| fruit ices: | - | - |
| gelatins / puddings: | - | - |
| granulated sugar: | - | - |
| gravies: | 0.10000 | 0.25000 |
| hard candy: | - | - |
| imitation dairy: | - | - |
| instant coffee / tea: | - | - |
| jams / jellies: | - | - |
| meat products: | 0.10000 | 0.25000 |
| milk products: | - | - |
| nut products: | - | - |
| other grains: | - | - |
| poultry: | - | - |
| processed fruits: | - | - |
| processed vegetables: | - | - |
| reconstituted vegetables: | - | - |
| seasonings / flavors: | 0.10000 | 0.25000 |
| snack foods: | 0.10000 | 0.25000 |
| soft candy: | - | - |
| soups: | 0.10000 | 0.25000 |
| 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 |
References:
Other Information:
Potential Blenders and core components note
| For Odor |
| alliaceous |
dimethyl trisulfide
FL/FR |
methyl furfuryl disulfide
FL/FR |
| burnt |
rum ether
FL/FR |
| chocolate |
2,6- dimethyl pyrazine
FL/FR |
| coffee |
coffee difuran
FL/FR |
2- methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR |
| earthy |
nutty pyrazine
FL/FR |
| fermented |
ethyl crotonate
FL/FR |
| fruity |
tropical thiazole
FL/FR |
tropical trithiane
FL/FR |
| green |
2- heptyl furan
FL/FR |
(E,Z)-2,6- nonadienal
FL/FR |
| meaty |
meaty dithiane
FL/FR |
4- methyl nonanoic acid
FL/FR |
sulfurol
FL/FR |
sulfuryl acetate
FL/FR |
| moldy |
strawberry furanone methyl ether
FL/FR |
| musty |
hazelnut pyrazine
FL/FR |
| nutty |
4,5- dimethyl-2-ethyl-3-thiazoline
FL/FR |
2- ethyl pyrazine
FL/FR |
2- ethyl-4-methyl thiazole
FL/FR |
2- methyl pyrazine
FL/FR |
2- methyl-3-(methyl thio) pyrazine
FL/FR |
| phenolic |
2,3- dimethyl benzofuran
FL/FR |
ortho- guaiacol
FL/FR |
4- vinyl phenol
FL/FR |
| smoky |
pyroligneous acids
FL/FR |
| sulfurous |
benzothiazole
FL/FR |
ethyl 2-mercaptopropionate
FL/FR |
ethyl 3-mercaptopropionate
FL/FR |
fish thiol
FL/FR |
2- mercaptopropionic acid
FL/FR |
4- methyl 4-mercaptopentan-2-one 1% solution
FL/FR |
2-( methyl thio) phenol
FL/FR |
1- phenethyl mercaptan
FL/FR |
| tobacco |
methyl benzoxole
FL/FR |
| For Flavor |
| No flavor group found for these |
4- acetyl-2-methyl pyrimidine
FL |
gamma- aminobutyric acid
FL |
amyl mercaptan
FL |
1,2- butane dithiol
FL |
2-(2- butyl)-4,5-dimethyl-3-thiazoline
FL |
cyclopropyl (E,Z)-2,6-nonadienamide
FL |
2,5- diethyl thiazole
FL |
3,6- diethyl-1,2,4,5-tetrathiane and 3,5-diethyl-1,2,4-trithiolane mixture 1% in vegetable oil triglyceri
FL |
dihydro-2,4,6-trimethyl-1,3,5(4H)-dithiazine
FL |
dimethyl tetrasulfide
FL |
2,6- dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone
FL |
bis(2,5- dimethyl-3-furyl) disulfide
FL |
(Z+E)-2,5- dimethyl-3-tetrahydrofuran thiol
FL |
(Z+E)-2,5- dimethyl-3-thioacetoxytetrahydrofuran
FL |
2,5- dimethyl-3-thiofuroyl furan
FL |
ethyl (E,Z)-2,6-nonadienamide
FL |
S- ethyl 2-acetyl aminoethane thioate
FL |
ethyl 3-mercaptopropionate
FL/FR |
ethyl 4-(acetyl thio) butyrate
FL |
3-( ethyl thio) butanol
FL |
2- ethyl-3-methyl thiopyrazine
FL |
(Z+E)-5- ethyl-4-methyl-2-(2-butyl) thiazoline
FL |
(Z+E)-5- ethyl-4-methyl-2-(2-methyl propyl) thiazoline
FL |
2- hexyl thiophene
FL |
1-(3- hydroxy-5-methyl-2-thienyl) ethanone
FL |
3- mercapto-3-methyl butyl formate
FL |
4- mercapto-3-methyl-2-butanol
FL |
4- methyl 4-mercaptopentan-2-one 1% solution
FL/FR |
methyl dihydrofuran thiol
FL |
2- methyl thiazolidine
FL |
2-( methyl thio) ethanol
FL |
2- methyl-1-butane thiol
FL |
4- methyl-2-(methyl thiomethyl)-2-hexenal
FL |
2- methyl-2-thiazoline
FL |
2- methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR |
2- methyl-3-(methyl thio) pyrazine
FL/FR |
2- methyl-3-furyl tetrasulfide
FL |
3-((2- methyl-3-furyl)thio)-4-heptanone
FL |
4-((2- methyl-3-furyl)thio)-5-nonanone
FL |
1,9- nonane dithiol
FL |
peanut dithiazine
FL |
1- phenethyl mercaptan
FL/FR |
1,3- propane dithiol
FL |
3-iso propenyl pentane dioic acid
FL |
iso propyl disulfide
FL |
2-iso propyl-3-(methyl thio) pyrazine
FL |
thiazole
FL |
3- thienyl mercaptan
FL |
thioacetic acid
FL |
|
3,5- diisopropyl-1,2,4-trithiolane
FL |
N-(2-(3,4- dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amide
FL |
3,5- dimethyl-1,2,4-trithiolane
FL |
3,7- dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
FL |
2,4- dimethyl-3-oxazoline
FL |
4- mercapto-2-pentanone 1% in acetoin
FL |
(±)-3-( methyl thio) heptanal
FL |
3-( methyl thio) methyl thiophene
FL |
pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine
FL |
1-(2- thienyl) butanone
FL |
| alliaceous |
| alliaceous |
allyl disulfide
FL |
allyl mercaptan
FL |
1,3- butane dithiol
FL |
cyclopentyl mercaptan
FL |
dimethyl trisulfide
FL/FR |
3- mercapto-2-pentanone
FL |
3- tetrahydrothiophenone
FL |
tropical thiazole
FL/FR |
| burnt |
bacon dithiazine
FL |
1,6- hexane dithiol
FL |
rum ether
FL/FR |
| chemical |
2,3- dimethyl benzofuran
FL/FR |
2,5- dimethyl furan
FL |
| cocoa |
butyraldehyde
FL |
| coffee |
coffee difuran
FL/FR |
2- ethyl-4-methyl thiazole
FL/FR |
methyl furfuryl disulfide
FL/FR |
| earthy |
difurfuryl sulfide
FL |
1,8- octane dithiol
FL |
| eggy |
iso propyl mercaptan
FL |
| fatty |
2- heptyl furan
FL/FR |
4- methyl nonanoic acid
FL/FR |
2- pentyl thiophene
FL |
| fruity |
tropical trithiane
FL/FR |
| green |
4- methyl thiazole
FL |
(E,Z)-2,6- nonadienal
FL/FR |
4- penten-1-yl acetate
FL |
| meaty |
4- allyl-2,6-dimethoxyphenol
FL |
benzothiazole
FL/FR |
2,6- dimethyl pyrazine
FL/FR |
2,6- dimethyl thiophenol
FL |
2,5- dimethyl-3-furan thiol
FL |
1,1- ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4%
FL |
furfuryl 2-methyl-3-furyl disulfide
FL |
4- furfuryl thio-2-pentanone
FL |
meaty dithiane
FL/FR |
3- mercapto-2-butanone
FL |
(R,S)-2- mercapto-3-butanol
FL |
2- mercaptomethyl pyrazine
FL |
2- mercaptopropionic acid
FL/FR |
2- methyl 3-(methyl thio) furan
FL |
2-( methyl thio) phenol
FL/FR |
methyl thiofuryl butanal
FL |
12- methyl tridecanal
FL |
bis(2- methyl-3-furyl) disulfide
FL |
S-(2- methyl-3-furyl) ethane thioate
FL |
2- methyl-3-tetrahydrofuran thiol
FL |
2- methyl-3-thioacetoxytetrahydrofuran
FL |
phenyl mercaptan
FL |
propyl 2-mercaptopropionate
FL |
propyl 2-methyl-3-furyl disulfide
FL |
pyrazinyl ethane thiol
FL |
2- pyridinyl methane thiol
FL |
sulfurol
FL/FR |
sulfuryl acetate
FL/FR |
thialdine
FL |
ortho- thiocresol
FL |
ortho- thioguaiacol
FL |
| metallic |
2,5- dihydroxy-1,4-dithiane
FL |
| moldy |
strawberry furanone methyl ether
FL/FR |
| musty |
hazelnut pyrazine
FL/FR |
| nutty |
3- acetyl-2,5-dimethyl thiophene
FL |
2- acetyl-4-methyl thiazole
FL |
2- butyl-2-butenal
FL |
3,5- diethyl-2-methyl pyrazine
FL |
2,5- diethyl-3-methyl pyrazine
FL |
4,5- dimethyl-2-ethyl-3-thiazoline
FL/FR |
2- ethyl pyrazine
FL/FR |
methyl benzoxole
FL/FR |
2- methyl pyrazine
FL/FR |
nutty pyrazine
FL/FR |
nutty thiazole
FL |
| onion |
ethyl 2-mercaptopropionate
FL/FR |
furfuryl isopropyl sulfide
FL |
| phenolic |
2- ethyl benzene thiol
FL |
4- vinyl phenol
FL/FR |
| popcorn |
2- propionyl-2-thiazoline
FL |
| radish |
3-( methyl thio) propyl mercaptoacetate
FL |
| roasted |
hexyl mercaptan
FL |
| rummy |
ethyl crotonate
FL/FR |
| savory |
N-(2,4- dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
FL |
N-( heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamide
FL |
N1-(2- methoxy-4-methyl benzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
FL |
N1-(2- methoxy-4-methyl benzyl)-N2-2(2-(5-methyl pyridin-2-yl)ethyl) oxalamide
FL |
| smoky |
prosopis juliflora wood extract
FL |
pyroligneous acids
FL/FR |
| sulfurous |
2,3- butane dithiol
FL |
ethyl methyl sulfide
FL |
S- ethyl thioacetate
FL |
fish thiol
FL/FR |
methyl 2-methyl-3-furyl disulfide
FL |
3- methyl-2-butane thiol
FL |
2- naphthyl mercaptan
FL |
roasted butanol
FL |
2,4,6- trithiaheptane 10% in triacetin
FL |
| vegetable |
tyramine
FL |
| wasabi |
2-( methyl thio) ethyl acetate
FL |
| woody |
ortho- guaiacol
FL/FR |
| yeasty |
faex extracts
FL |
Potential Uses:
Occurrence (nature, food, other): note
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 |
Articles:
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