methyl 2-(methyl thio) acetate
methyl (methylthio)acetate
 
Notes:
Used as a food additive [EAFUS]
  • BOC Sciences
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      Product(s):
      16630-66-3 Methyl (methylthio)acetate
       
  • Endeavour Specialty Chemicals
    • Endeavour Specialty Chemicals Ltd
      Expertise in high impact aroma chemicals
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      Speciality Chemical has more than 25 years experience of manufacturing high-impact aroma chemicals. With our core expertise in sulfur and heterocyclic chemistries, Endeavours products have applications in a range of industry sectors including flavours and fragrances, pharmaceutical research and material sciences. Endeavour also offer custom synthesis and contract manufacturing services at their UK manufacturing site.
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      AT0100 Methyl (methylthio)acetate 98% F&F
       
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      Product(s):
      13-55900 METHYL (METHYLTHIO) ACETATE
       
  • Robinson Brothers
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  • Synerzine
    • Synerzine, Inc.
      Innovation. Customization. Aroma Ingredients.
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      Building upon our 44 year history, the Synerzine team provides customers around the globe with convenient access to over 1200 high-quality aroma ingredients. We actively engage with customers to add a wide array of new products and services on a regular basis. Our aim is to delight every customer with our exceptional services, large product selection, customization and the highest quality and safety standards. We provide our customers with true value designed to help them bring their products to market faster.
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      Product(s):
      W1467 Methyl 2-(methylthio) Acetate
       
  • TCI AMERICA
    • TCI AMERICA
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      Product(s):
      M2296 Methyl (Methylthio)acetate >99.0%(GC)
       
  • R C Treatt & Co Ltd
Synonyms   Articles   Notes   Search
CAS Number: 16630-66-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 240-683-4
FDA UNII: GN58C28ML9
Nikkaji Web: J318.271A
Beilstein Number: 1902431
MDL: MFCD00039809
CoE Number: 11525
XlogP3-AA: 0.80 (est)
Molecular Weight: 120.17116000
Formula: C4 H8 O2 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: 1691  methyl (methylthio)acetate
DG SANTE Food Flavourings: 12.146  methyl (methylithio)acetate
FEMA Number: 4003 methyl (methylthio)acetate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):16630-66-3 ; METHYL (METHYLTHIO)ACETATE
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Physical Properties:
Appearance: colorless to yellow clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 1.10500 to 1.11500 @  20.00 °C.
Pounds per Gallon - (est).: 9.205 to  9.289
Refractive Index: 1.46400 to 1.46600 @  20.00 °C.
Boiling Point: 49.00 to  51.00 °C. @ 12.00 mm Hg
Boiling Point: 145.00 °C. @ 760.00 mm Hg
Vapor Pressure: 2.767000 mmHg @ 25.00 °C. (est)
Flash Point: 136.00 °F. TCC ( 57.78 °C. )
logP (o/w): 0.554 (est)
Soluble in:
 alcohol
 water, 4.059e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: nutty
 
 sulfurous  cooked  potato baked potato  roasted  nutty  fruity  tropical  
Odor Description:
at 0.10 % in dipropylene glycol. 
sulfurous cooked potato roasted nut fruity tropical
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
Methyl (methylthio)acetate
Endeavour Specialty Chemicals
Methyl (methylthio)acetate 98% F&F
Speciality Chemical Product Groups
Penta International
METHYL (METHYLTHIO) ACETATE
R C Treatt & Co Ltd
Methyl (methylthio)acetate
Halal, Kosher
Odor: sweet, fruity, tropical
Robinson Brothers
Methyl (methylthio)acetate F&F
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
Methyl (methylthio)acetate
Sigma-Aldrich
Methyl (methylthio)acetate, FG
Certified Food Grade Products
Synerzine
Methyl 2-(methylthio) Acetate
TCI AMERICA
For experimental / research use only.
Methyl (Methylthio)acetate >99.0%(GC)
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Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
 
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 methyl 2-(methyl thio) acetate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.24 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 1.00 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 160 (μg/person/day)
NOEL (No Observed Effect Level): 1.4 (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: 20
Click here to view publication 20
 average usual ppmaverage maximum ppm
baked goods: 4.000008.00000
beverages(nonalcoholic): 2.000004.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: 8.0000016.00000
condiments / relishes: 2.000004.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 2.000004.00000
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 2.000004.00000
hard candy: 4.000008.00000
imitation dairy: 2.000004.00000
instant coffee / tea: --
jams / jellies: --
meat products: 2.000004.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: 2.000004.00000
soft candy: 2.000004.00000
soups: 2.000004.00000
sugar substitutes: --
sweet sauces: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 0.400002.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.200001.00000
Edible ices, including sherbet and sorbet (03.0): 0.400002.00000
Processed fruit (04.1): 0.300001.50000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 0.400002.00000
Chewing gum (05.0): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.200001.00000
Bakery wares (07.0): 0.400002.00000
Meat and meat products, including poultry and game (08.0): 0.100000.40000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.100000.40000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.200001.00000
Foodstuffs intended for particular nutritional uses (13.0): 0.400002.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.200001.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.400002.00000
Ready-to-eat savouries (15.0): 1.000005.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.200001.00000
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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 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,-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 : 85522
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 3272
WGK Germany: 3
 methyl 2-methylsulfanylacetate
Chemidplus: 0016630663
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References:
 methyl 2-methylsulfanylacetate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 16630-66-3
Pubchem (cid): 85522
Pubchem (sid): 135258729
Flavornet: 16630-66-3
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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
KEGG (GenomeNet): C03173
HMDB (The Human Metabolome Database): HMDB35646
FooDB: FDB014356
Export Tariff Code: 2930.90.9190
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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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
balsamic
 ethyl alpha-acetyl cinnamateFL/FR
isopropyl cinnamateFL/FR
2-ethyl-3,5(or 6)-dimethyl pyrazineFL/FR
caramellic
isopropenyl pyrazineFL/FR
 strawberry furanone acetateFL/FR
chocolate
 cocoa hexenalFL/FR
2,6-dimethyl pyrazineFL/FR
2,5-dimethyl pyrazineFL/FR
earthy
2-ethyl-3-methoxypyrazineFL/FR
 nutty pyrazineFL/FR
ethereal
isopropyl formateFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
fatty
 coconut absoluteFL/FR
floral
para-anisyl butyrateFL/FR
(-)-alpha-bisabololFL/FR
black currant bud concreteFL/FR
alpha-iononeFL/FR
 phenethyl acetateFL/FR
 rhodinyl butyrateFL/FR
 rhodinyl isobutyrateFL/FR
 rose butanoateFL/FR
 styralyl isobutyrateFL/FR
fruity
 allyl 2-ethyl butyrateFL/FR
 allyl cyclohexyl propionateFL/FR
 benzaldehydeFL/FR
 butyl isobutyrateFL/FR
isobutyl isobutyrateFL/FR
 ethyl (Z)-4-heptenoateFL/FR
 guaiacyl propionateFL/FR
 heptyl butyrateFL/FR
 neocaspireneFL/FR
 strawberry furanone butyrateFL/FR
green
2-tert-butyl pyrazineFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 heptanal dimethyl acetalFL/FR
2-heptyl furanFL/FR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
 hexyl hexanoateFL/FR
1-penten-3-olFL/FR
 phenoxyethyl isobutyrateFL/FR
herbal
 barosma betulina leaf oilFL/FR
(E)-6-methyl-3-hepten-2-oneFL/FR
 viridiflorolFL/FR
2-acetyl-3-ethyl pyrazineFL/FR
2-acetyl-3-methyl pyrazineFL/FR
2-acetyl-3,5-dimethyl pyrazineFL/FR
2-acetyl-3,5(or 6)-dimethyl pyrazineFL/FR
3,6-cocoa pyrazineFL/FR
3,5-cocoa pyrazineFL/FR
 filbert heptenoneFL/FR
 filbert heptenone BFL/FR
 methoxymethyl pyrazineFL/FR
 nutty quinoxalineFL/FR
 sesame absoluteFL/FR
roasted
2-acetyl-2-pyrroline 
 buchu mercaptanFL/FR
 furfuryl thioacetateFL/FR
 lychee mercaptan acetateFL/FR
 passiflora acetateFL/FR
S-tropical 2-thiobutyrateFL/FR
4-tropical oxathianeFL/FR
tropical
cis-galbanum oxathianeFL/FR
 hexyl 2-methyl-3-pentenoateFL/FR
3-nonen-4-olideFL/FR
 passiflora edulis fruit extractFL/FR
 passiflora edulis fruit waterFL/FR
 tropical 3-thiobutyrateFL/FR
vegetable
 methionalFL/FR
yeasty
2-octen-4-oneFL/FR
 
For Flavor
 
No flavor group found for these
2-acetyl-2-pyrroline 
(-)-alpha-bisabololFL/FR
2-tert-butyl pyrazineFL/FR
 cocos nucifera waterFL
 cyclotene butyrateFL
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazineFL
 dimethyl dihydrocyclopentapyrazineFL
6,7-dimethyl dihydrocyclopentapyrazineFL
2,5-dimethyl pyrazine and 2,6-dimethyl pyrazine mixtureFL
2,5-dimethyl thiazoleFL
S-(2,5-dimethyl-3-furyl) ethane thioateFL
 ethyl 2-(methyl thio) acetateFL
 ethyl 3-octenoateFL
 ethyl alpha-acetyl cinnamateFL/FR
2-ethyl-3-methoxypyrazineFL/FR
2-ethyl-3,5(or 6)-dimethyl pyrazineFL/FR
 green pea pyrazineFL
 guaiacyl propionateFL/FR
2-methoxy-3-propyl pyrazineFL
4-(methyl thio) butanolFL
(E)-6-methyl-3-hepten-2-oneFL/FR
 neocaspireneFL/FR
3-nonen-4-olideFL/FR
S-prenyl thioisobutyrateFL
S-prenyl thioisovalerateFL
 pyrazines mixtureFL
 sorbyl propionateFL
 styralyl isobutyrateFL/FR
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
S-tropical 2-thiobutyrateFL/FR
 viridiflorolFL/FR
5-acetyl-2,3-dihydro-1,4-thiazineFL
 allyl thiohexanoateFL
 sulfuryl formateFL
 sulfuryl octanoateFL/FR
 sulfuryl propionateFL/FR
alliaceous
3-mercapto-2-pentanoneFL
2-methyl thioacetaldehydeFL
anisic
para-anisyl butyrateFL/FR
balsamic
isopropyl cinnamateFL/FR
burnt
2-methyl quinoxalineFL
isopropenyl pyrazineFL/FR
caramellic
 strawberry furanone acetateFL/FR
cheesy
 methyl ketonesFL
cocoa
 cocoa hexenalFL/FR
creamy
 triacetinFL
ethereal
 allyl 2-ethyl butyrateFL/FR
fatty
 coconut absoluteFL/FR
2-heptyl furanFL/FR
fishy
4,5-dimethyl thiazoleFL
floral
alpha-iononeFL/FR
 rhodinyl butyrateFL/FR
 rhodinyl isobutyrateFL/FR
fruity
 allyl cyclohexyl propionateFL/FR
 benzaldehydeFL/FR
 butyl isobutyrateFL/FR
isobutyl isobutyrateFL/FR
black currant bud concreteFL/FR
 ethyl (Z)-4-heptenoateFL/FR
2-ethyl-2,5-dihydro-4-methyl thiazoleFL
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
 hexyl 2-methyl-3-pentenoateFL/FR
 hexyl hexanoateFL/FR
3-mercaptohexyl hexanoateFL
 passion fruit distillatesFL
isopropyl formateFL/FR
 rose butanoateFL/FR
 strawberry furanone butyrateFL/FR
4-tropical oxathianeFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
green
 ethyl (E,Z)-2,4-decadienoateFL/FR
cis-galbanum oxathianeFL/FR
 heptanal dimethyl acetalFL/FR
 heptyl butyrateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
1-penten-3-olFL/FR
 phenoxyethyl isobutyrateFL/FR
 propylene glycol acetone ketalFL
herbal
 barosma betulina leaf oilFL/FR
 buchu oil fractionsFL
honey
 phenethyl acetateFL/FR
juicy
 lychee mercaptan acetateFL/FR
meaty
2,6-dimethyl pyrazineFL/FR
milky
dextro,laevo-3-(methyl thio) butanoneFL
musty
2,5-dimethyl pyrazineFL/FR
2-ethoxythiazoleFL
nutty
3-acetyl-2,5-dimethyl thiopheneFL
2-acetyl-3-ethyl pyrazineFL/FR
2-acetyl-3-methyl pyrazineFL/FR
2-acetyl-3,5-dimethyl pyrazineFL/FR
2-acetyl-3,5(or 6)-dimethyl pyrazineFL/FR
 arachis hypogaea fruit extractFL
3,6-cocoa pyrazineFL/FR
3,5-cocoa pyrazineFL/FR
1-ethyl-2-acetyl pyrroleFL
2-ethyl-6-methyl pyrazineFL
 filbert heptenoneFL/FR
 filbert heptenone BFL/FR
 methoxymethyl pyrazineFL/FR
 nutty pyrazineFL/FR
 nutty quinoxalineFL/FR
 sesame absoluteFL/FR
popcorn
2-propionyl-2-thiazolineFL
roasted
3,5-diisobutyl-1,2,4-trithiolaneFL
 furfuryl thioacetateFL/FR
sulfurous
 buchu mercaptanFL/FR
 methyl 2-(methyl thio) butyrateFL
 methyl thiomethyl butyrateFL
 potato butanoneFL
 tropical 3-thiobutyrateFL/FR
tomato
 methionalFL/FR
tropical
 anacardium occidentale fruit pureeFL
3-mercaptohexyl butyrateFL
 passiflora acetateFL/FR
 passiflora edulis fruit extractFL/FR
 passiflora edulis fruit waterFL/FR
vegetable
2-octen-4-oneFL/FR
 potato butyraldehydeFL
winey
5-ethyl-2-methyl pyridineFL
 
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Potential Uses:
 fruitFR
 kiwiFL
 melonFL
 nutFL
 papayaFL
 pineappleFL
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Occurrence (nature, food, other): note
 kiwi fruit
Search Trop  Picture
 melon
Search  PMC Picture
 papaya fruit
Search Trop  Picture
 pineapple fruit
Search Trop  Picture
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Synonyms:
 acetic acid, (methylthio)-, methyl ester
 acetic acid, 2-(methylthio)-, methyl ester
 methyl (methyl thio) acetate
 methyl (methylithio)acetate
 methyl (methylmercapto)acetate
 methyl (methylsulfanyl)acetate
 methyl (methylthio) acetate
 methyl (methylthio)acetate
 methyl 2-(methylsulfanyl)acetate
 methyl 2-(methylthio) acetate
 methyl 2-(methylthio)acetate
 methyl 2-methyl sulfanyl acetate
 methyl 2-methylsulfanylacetate
(methyl thio) acetic acid methyl ester
 methyl-2-(methyl thio) acetate
 methyl-2-(methylthio) acetate
(methylthio)acetic acid methyl ester
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