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methyl methane thiosulfonate
S-methyl methanethiosulfonate

Supplier Sponsors

Name:methylsulfonylsulfanylmethane
CAS Number: 2949-92-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:220-970-0
FDA UNII:0906Z2356U
Nikkaji Web:J149.996C
Beilstein Number:1446059
MDL:MFCD00007565
CoE Number:11520
XlogP:0.30 (est)
Molecular Weight:126.19822000
Formula:C2 H6 O2 S2
BioActivity Summary:listing
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
PubMed:Search
NCBI:Search
FLAVIS Number:12.159 (Old)
DG SANTE Food Flavourings:12.159 S-methyl methanethiosulfonate
 
Physical Properties:
Appearance:pale yellow to yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.31500 to 1.32100 @ 25.00 °C.
Pounds per Gallon - (est).: 10.942 to 10.992
Refractive Index:1.50700 to 1.51300 @ 20.00 °C.
Boiling Point: 266.00 to 267.00 °C. @ 760.00 mm Hg
Boiling Point: 69.00 to 71.00 °C. @ 0.40 mm Hg
Vapor Pressure:0.014000 mmHg @ 25.00 °C. (est)
Flash Point: 188.00 °F. TCC ( 86.67 °C. )
logP (o/w): 0.247 (est)
Soluble in:
 alcohol
 water, slightly
 water, 5.333e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: sulfurous
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
sulfurous pungent roasted
Odor Description:at 0.10 % in propylene glycol. sulfurous pungent roasted
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Methyl Methanethiosulfonate
Penta International
METHYL METHANETHIOLSULFONATE
Santa Cruz Biotechnology
For experimental / research use only.
Methyl Methanethiosulfonate
Sigma-Aldrich: Aldrich
For experimental / research use only.
S-Methyl methanethiosulfonate 97%
TCI AMERICA
For experimental / research use only.
S-Methyl Methanethiosulfonate >97.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36 - Irritating to eyes.
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 37/39 - Wear suitable gloves and eye/face protection.
 
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:
intraperitoneal-mouse LD50 9110 ug/kg
Toxicology and Applied Pharmacology. Vol. 72, Pg. 513, 1984.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for methyl methane thiosulfonate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.061 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 160 (μg/person/day)
Threshold of Concern:90 (μg/person/day)
Structure Class: III
 
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 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 74 (FGE.74)[1]: Consideration of Simple Aliphatic Sulphides and Thiols evaluated by JECFA (61st meeting) Structurally related to Aliphatic and Alicyclic Mono-, Di-, Tri-, and Polysulphides with or without Additional Oxygenated Functional Groups from Chemical Group 20 evaluated by EFSA in FGE.08 (2008)
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

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

Flavouring Group Evaluation 08 Rev2 (FGE.08 Rev2): 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

Statement on List of Representative Substances for Testing. The current Statement lays down a list of substances in sub-groups with representative substances for which additional data are required prior to their evaluation through the Procedure (Regulation (EC) No 1565/2000).
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 08, Revision 5 (FGE.08Rev5): 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
Chemical Carcinogenesis Research Information System:Search
Cancer Citations:Search
Toxicology Citations:Search
Env. Mutagen Info. Center:Search
EPA Substance Registry Services (TSCA):2949-92-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :18064
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3334
WGK Germany:2
methylsulfonylsulfanylmethane
Chemidplus:0002949920
RTECS:PB2765000 for cas# 2949-92-0
 
References:
 methylsulfonylsulfanylmethane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):18064
Pubchem (sid):134982450
 
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
CHEBI:View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB31832
FooDB:FDB008510
Export Tariff Code:2930.90.9190
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
coffee
coffee difuran
FL/FR
furfuryl mercaptan
FL/FR
sulfurous
cocoa essence
FL/FR
ethyl 3-mercaptobutyrate
FL/FR
furfuryl thioacetate
FL/FR
For Flavor
No flavor group found for these
1,2-
butane dithiol
FL
(Z+E)-2,5-
dimethyl-3-tetrahydrofuran thiol
FL
(Z+E)-2,5-
dimethyl-3-thioacetoxytetrahydrofuran
FL
ethyl 3-mercaptobutyrate
FL/FR
methyl dihydrofuran thiol
FL
alliaceous
alliaceous
1,3-
butane dithiol
FL
chocolate
cocoa essence
FL/FR
coffee
coffee difuran
FL/FR
furfuryl mercaptan
FL/FR
methyl furfuryl thiol
FL
meaty
(R,S)-2-
mercapto-3-butanol
FL
bis(2-
methyl-3-furyl) disulfide
FL
S-(2-
methyl-3-furyl) ethane thioate
FL
2-
methyl-3-thioacetoxytetrahydrofuran
FL
phenolic
2-
ethyl benzene thiol
FL
roasted
furfuryl thioacetate
FL/FR
 
Potential Uses:
FLmeat
 
Occurrence (nature, food, other):note
 brassica oleracea
Search Trop Picture
 
Synonyms:
 methane sulfonothioic acid S-methyl ester
 methanesulfonic acid, thio-, S-methyl ester
 methanesulfonothioic acid, S-methyl ester
 methanethiosulfonic acid S-methyl ester
 methanethiosulfonic acid, S-methyl ester
 methyl methane sulfonothioate
 methyl methane thiol sulfonate
S-methyl methanesulfonothioate
S-methyl methanethiolsulfonate
S-methyl methanethiosulfonate
S-methyl methanethiosulphonate
S-methyl thiomethanesulfonate
 methylsulfonylsulfanylmethane
 

Articles:

PubMed:Conformation-dependent inactivation of human betaine-homocysteine S-methyltransferase by hydrogen peroxide in vitro.
PubMed:Antimicrobial activity of the essential oil and some isolated sulfur-rich compounds from Scorodophloeus zenkeri.
PubMed:Formation of methanethiol and dimethyl disulfide in crushed tissues of broccoli florets and their inhibition by freeze-thawing.
PubMed:Differential inhibition of human platelet aggregation by selected Allium thiosulfinates.
PubMed:Antimicrobial activity of sulfur compounds derived from cabbage.
 
Notes:
Isol. from cauliflower (Brassica oleracea var. botrytis). Detected in the aroma of caucas (Allium victorialis). Antimutagenic agent
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