EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

methyl 2-(methyl thio) acetate
methyl (methylthio)acetate

Supplier Sponsors

Name:methyl 2-methylsulfanylacetate
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 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
JECFA Food Flavoring:1691 methyl (methylthio)acetate
FLAVIS Number:12.146 (Old)
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
 
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
 
Organoleptic Properties:
Odor Type: nutty
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
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).
 
Cosmetic Information:
None found
 
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)
 
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
 
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
 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
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
 
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

EPI System: View
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
 
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
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
 
Potential Blenders and core components note
For Odor
No odor group found for these
sulfuryl octanoate
FL/FR
sulfuryl butyrate
FL/FR
sulfuryl decanoate
FL/FR
sulfuryl hexanoate
FL/FR
sulfuryl isobutyrate
FL/FR
sulfuryl propionate
FL/FR
balsamic
balsamic
ethyl alpha-acetyl cinnamate
FL/FR
iso
propyl cinnamate
FL/FR
burnt
2-
ethyl-3,5(or 6)-dimethyl pyrazine
FL/FR
caramellic
iso
propenyl pyrazine
FL/FR
strawberry furanone acetate
FL/FR
chocolate
cocoa hexenal
FL/FR
2,5-
dimethyl pyrazine
FL/FR
2,6-
dimethyl pyrazine
FL/FR
earthy
2-
ethyl-3-methoxypyrazine
FL/FR
nutty pyrazine
FL/FR
ethereal
iso
propyl formate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
fatty
coconut absolute
FL/FR
floral
para-
anisyl butyrate
FL/FR
(-)-alpha-
bisabolol
FL/FR
black
currant bud concrete
FL/FR
alpha-
ionone
FL/FR
phenethyl acetate
FL/FR
rhodinyl butyrate
FL/FR
rhodinyl isobutyrate
FL/FR
rose butanoate
FL/FR
styralyl isobutyrate
FL/FR
fruity
allyl 2-ethyl butyrate
FL/FR
allyl cyclohexyl propionate
FL/FR
benzaldehyde
FL/FR
butyl isobutyrate
FL/FR
iso
butyl isobutyrate
FL/FR
ethyl (Z)-4-heptenoate
FL/FR
guaiacyl propionate
FL/FR
heptyl butyrate
FL/FR
neocaspirene
FL/FR
strawberry furanone butyrate
FL/FR
green
2-tert-
butyl pyrazine
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
heptanal dimethyl acetal
FL/FR
2-
heptyl furan
FL/FR
(Z)-3-
hexen-1-yl (E)-2-hexenoate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
hexyl hexanoate
FL/FR
1-
penten-3-ol
FL/FR
phenoxyethyl isobutyrate
FL/FR
herbal
barosma betulina leaf oil
FL/FR
(E)-6-
methyl-3-hepten-2-one
FL/FR
viridiflorol
FL/FR
nutty
2-
acetyl-3-ethyl pyrazine
FL/FR
2-
acetyl-3-methyl pyrazine
FL/FR
2-
acetyl-3,5-dimethyl pyrazine
FL/FR
2-
acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR
3,5-
cocoa pyrazine
FL/FR
3,6-
cocoa pyrazine
FL/FR
filbert heptenone
FL/FR
filbert heptenone B
FL/FR
methoxymethyl pyrazine
FL/FR
nutty quinoxaline
FL/FR
sesame absolute
FL/FR
sulfurous
buchu mercaptan
FL/FR
furfuryl thioacetate
FL/FR
lychee mercaptan acetate
FL/FR
passiflora acetate
FL/FR
S-
tropical 2-thiobutyrate
FL/FR
4-
tropical oxathiane
FL/FR
tropical
cis-
galbanum oxathiane
FL/FR
hexyl 2-methyl-3-pentenoate
FL/FR
3-
nonen-4-olide
FL/FR
passiflora edulis fruit extract
FL/FR
passiflora edulis fruit water
FL/FR
tropical 3-thiobutyrate
FL/FR
vegetable
methional
FL/FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
(-)-alpha-
bisabolol
FL/FR
2-tert-
butyl pyrazine
FL/FR
cocos nucifera water
FL
cyclotene butyrate
FL
6,7-
dihydro-2,3-dimethyl-5H-cyclopentapyrazine
FL
dimethyl dihydrocyclopentapyrazine
FL
6,7-
dimethyl dihydrocyclopentapyrazine
FL
2,5-
dimethyl pyrazine and 2,6-dimethyl pyrazine mixture
FL
2,5-
dimethyl thiazole
FL
S-(2,5-
dimethyl-3-furyl) ethane thioate
FL
ethyl 2-(methyl thio) acetate
FL
ethyl 3-octenoate
FL
ethyl alpha-acetyl cinnamate
FL/FR
2-
ethyl-3-methoxypyrazine
FL/FR
2-
ethyl-3,5(or 6)-dimethyl pyrazine
FL/FR
green pea pyrazine
FL
guaiacyl propionate
FL/FR
2-
methoxy-3-propyl pyrazine
FL
4-(
methyl thio) butanol
FL
(E)-6-
methyl-3-hepten-2-one
FL/FR
neocaspirene
FL/FR
3-
nonen-4-olide
FL/FR
S-
prenyl thioisobutyrate
FL
S-
prenyl thioisovalerate
FL
pyrazines mixture
FL
sorbyl propionate
FL
styralyl isobutyrate
FL/FR
sulfuryl butyrate
FL/FR
sulfuryl decanoate
FL/FR
sulfuryl hexanoate
FL/FR
sulfuryl isobutyrate
FL/FR
S-
tropical 2-thiobutyrate
FL/FR
viridiflorol
FL/FR
5-
acetyl-2,3-dihydro-1,4-thiazine
FL
allyl thiohexanoate
FL
sulfuryl formate
FL
sulfuryl octanoate
FL/FR
sulfuryl propionate
FL/FR
alliaceous
alliaceous
3-
mercapto-2-pentanone
FL
2-
methyl thioacetaldehyde
FL
anisic
para-
anisyl butyrate
FL/FR
balsamic
iso
propyl cinnamate
FL/FR
burnt
2-
methyl quinoxaline
FL
iso
propenyl pyrazine
FL/FR
caramellic
strawberry furanone acetate
FL/FR
cheesy
methyl ketones
FL
cocoa
cocoa hexenal
FL/FR
creamy
triacetin
FL
ethereal
allyl 2-ethyl butyrate
FL/FR
fatty
coconut absolute
FL/FR
2-
heptyl furan
FL/FR
fishy
4,5-
dimethyl thiazole
FL
floral
alpha-
ionone
FL/FR
rhodinyl butyrate
FL/FR
rhodinyl isobutyrate
FL/FR
fruity
allyl cyclohexyl propionate
FL/FR
benzaldehyde
FL/FR
iso
butyl isobutyrate
FL/FR
butyl isobutyrate
FL/FR
black
currant bud concrete
FL/FR
ethyl (Z)-4-heptenoate
FL/FR
2-
ethyl-2,5-dihydro-4-methyl thiazole
FL
(Z)-3-
hexen-1-yl (E)-2-hexenoate
FL/FR
hexyl 2-methyl-3-pentenoate
FL/FR
hexyl hexanoate
FL/FR
3-
mercaptohexyl hexanoate
FL
passion fruit distillates
FL
iso
propyl formate
FL/FR
rose butanoate
FL/FR
strawberry furanone butyrate
FL/FR
4-
tropical oxathiane
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
green
ethyl (E,Z)-2,4-decadienoate
FL/FR
cis-
galbanum oxathiane
FL/FR
heptanal dimethyl acetal
FL/FR
heptyl butyrate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
1-
penten-3-ol
FL/FR
phenoxyethyl isobutyrate
FL/FR
propylene glycol acetone ketal
FL
herbal
barosma betulina leaf oil
FL/FR
buchu oil fractions
FL
honey
phenethyl acetate
FL/FR
juicy
lychee mercaptan acetate
FL/FR
milky
dextro,laevo-3-(
methyl thio) butanone
FL
musty
2,5-
dimethyl pyrazine
FL/FR
2-
ethoxythiazole
FL
nutty
3-
acetyl-2,5-dimethyl thiophene
FL
2-
acetyl-3-ethyl pyrazine
FL/FR
2-
acetyl-3-methyl pyrazine
FL/FR
2-
acetyl-3,5-dimethyl pyrazine
FL/FR
2-
acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR
arachis hypogaea fruit extract
FL
3,6-
cocoa pyrazine
FL/FR
3,5-
cocoa pyrazine
FL/FR
2,6-
dimethyl pyrazine
FL/FR
1-
ethyl-2-acetyl pyrrole
FL
2-
ethyl-6-methyl pyrazine
FL
filbert heptenone
FL/FR
filbert heptenone B
FL/FR
methoxymethyl pyrazine
FL/FR
nutty pyrazine
FL/FR
nutty quinoxaline
FL/FR
sesame absolute
FL/FR
popcorn
2-
propionyl-2-thiazoline
FL
roasted
3,5-
diisobutyl-1,2,4-trithiolane
FL
furfuryl thioacetate
FL/FR
sulfurous
buchu mercaptan
FL/FR
methyl 2-(methyl thio) butyrate
FL
methyl thiomethyl butyrate
FL
potato butanone
FL
tropical 3-thiobutyrate
FL/FR
tomato
methional
FL/FR
tropical
anacardium occidentale fruit puree
FL
3-
mercaptohexyl butyrate
FL
passiflora acetate
FL/FR
passiflora edulis fruit extract
FL/FR
passiflora edulis fruit water
FL/FR
vegetable
2-
octen-4-one
FL/FR
potato butyraldehyde
FL
winey
5-
ethyl-2-methyl pyridine
FL
 
Potential Uses:
FRfruit
FLkiwi
FLmelon
FLnut
FLpapaya
FLpineapple
 
Occurrence (nature, food, other):note
 kiwi fruit
Search Trop Picture
 melon
Search PMC Picture
 papaya fruit
Search Trop Picture
 pineapple fruit
Search Trop Picture
 
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
 

Articles:

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Notes:
Used as a food additive [EAFUS]
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