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

S-methyl benzothioate
S-methyl benzenecarbothioate

Supplier Sponsors

Name:S-methyl benzenecarbothioate
CAS Number: 5925-68-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:227-656-2
FDA UNII:TV2YT5FVUQ
Nikkaji Web:J100.053E
CoE Number:11505
XlogP3-AA:2.30 (est)
Molecular Weight:152.21596000
Formula:C8 H8 O 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:504 S-methyl benzothioate
FLAVIS Number:12.150 (Old)
DG SANTE Food Flavourings:12.150 S-methyl benzothioate
FEMA Number:3857 S-methyl benzothioate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):5925-68-8 ; S-METHYL BENZOTHIOATE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.81700 to 0.84700 @ 25.00 °C.
Pounds per Gallon - (est).: 6.798 to 7.048
Refractive Index:1.57400 to 1.58000 @ 20.00 °C.
Boiling Point: 121.00 to 122.00 °C. @ 22.00 mm Hg
Vapor Pressure:0.137000 mmHg @ 25.00 °C. (est)
Flash Point: 181.00 °F. TCC ( 82.78 °C. )
logP (o/w): 3.194 (est)
Soluble in:
 alcohol
 oils
 water, 999.6 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 cabbage garlic potato vegetable
Odor Description:at 0.10 % in propylene glycol. sulfurous cabbage garlic potato vegetable
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Alfrebro
METHYLTHIO BENZOATE
Odor: Sulfur, Cabbage, Garlic, Potato, Vegetable
BOC Sciences
For experimental / research use only.
S-Methyl thiobenzoate
Parchem
S-methyl benzothioate
Penta International
S-METHYL BENZOTHIOATE
Sigma-Aldrich: Aldrich
For experimental / research use only.
S-Methyl benzothioate
 
Safety Information:
Preferred SDS: View
 
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 S-methyl benzothioate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/day)
Structure Class: II
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: 0.100005.00000
beverages(nonalcoholic): 0.100005.00000
beverages(alcoholic): --
breakfast cereal: 0.100005.00000
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.100005.00000
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 0.100005.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.100005.00000
milk products: 0.100005.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 100.000001000.00000
snack foods: --
soft candy: 0.100005.00000
soups: 0.100005.00000
sugar substitutes: --
sweet sauces: 0.100005.00000
 
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 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
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :80024
National Institute of Allergy and Infectious Diseases:Data
S-methyl benzenecarbothioate
Chemidplus:0005925688
 
References:
 S-methyl benzenecarbothioate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):80024
Pubchem (sid):135038469
 
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
HMDB (The Human Metabolome Database):HMDB29694
FooDB:FDB000883
ChemSpider:View
FAO:S-Methyl benzothioate
 
Potential Blenders and core components note
For Odor
moldy
strawberry furanone methyl ether
FL/FR
For Flavor
No flavor group found for these
3-
ethyl thiopropanol
FL
4-(
methyl thio) butanol
FL
2-(
methyl thio) methyl-2-butenal
FL
iso
propyl disulfide
FL
moldy
moldy
strawberry furanone methyl ether
FL/FR
sulfurous
methyl 4-(methyl thio) butyrate
FL
methyl benzyl disulfide
FL
potato butanone
FL
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 benzenecarbothioic acid, S-methyl ester
 benzoic acid, thio-, S-methyl ester
 methane thiol benzoate
 methanethiolbenzoate
S-methyl benzenecarbothioate
(S)-methyl thiobenzoate
S-methyl thiobenzoate
 methylthio benzoate
 

Articles:

 None found yet.
 
Notes:
Flavouring agent for foods
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