benzyl methyl sulfide
1-phenyl-2-thiapropane
 
Notes:
Flavouring agent. Present in cooked pork
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Synonyms   Articles   Notes   Search
CAS Number: 766-92-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 212-174-7
FDA UNII: Y3900RBK51
Nikkaji Web: J43.487F
MDL: MFCD00008563
XlogP3: 1.90 (est)
Molecular Weight: 138.23270000
Formula: C8 H10 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: 460  benzyl methyl sulfide
DG SANTE Food Flavourings: 12.077  benzyl methyl sulfide
FEMA Number: 3597 benzyl methyl sulfide
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):766-92-7 ; BENZYL METHYL SULFIDE
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 1.01500 to 1.02000 @  25.00 °C.
Pounds per Gallon - (est).: 8.446 to  8.487
Refractive Index: 1.56300 to 1.57300 @  20.00 °C.
Melting Point: -30.00 °C. @ 760.00 mm Hg
Boiling Point: 196.00 to  198.00 °C. @ 760.00 mm Hg
Boiling Point: 87.00 to  88.00 °C. @ 11.00 mm Hg
Vapor Pressure: 0.507000 mmHg @ 25.00 °C. (est)
Vapor Density: 4.7 ( Air = 1 )
Flash Point: 161.00 °F. TCC ( 71.67 °C. )
logP (o/w): 2.173 (est)
Soluble in:
 fats
 propylene glycol
 water, 486.3 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: burnt
 
 roasted  burnt  beefy  pork  lamb  chicken  
Odor Description:
at 0.10 % in propylene glycol. 
roasted burnt beef pork lamb chicken
 
Odor and/or flavor descriptions from others (if found).
 
Taytonn ASCC
Benzyl Methyl Sulphide
Odor Description: Burnt, Meaty, Roast
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
Benzyl(methyl)sulfane
Endeavour Specialty Chemicals
Benzyl methyl sulphide 98% F&F
Speciality Chemical Product Groups
Penta International
BENZYL METHYL SULFIDE
R C Treatt & Co Ltd
Benzyl Methyl Sulphide
Kosher
Robinson Brothers
Benzyl methyl sulphide F&F
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
Benzyl Methyl Sulfide
Sigma-Aldrich: Aldrich
For experimental / research use only.
Benzyl Methyl Sulfide 98%
Synerzine
Benzyl Methyl Sulfide
Taytonn ASCC
Benzyl Methyl Sulphide
Odor: Burnt, Meaty, Roast
TCI AMERICA
For experimental / research use only.
Benzyl Methyl Sulfide >98.0%(GC)
Tengzhou Jitian Aroma Chemiclal
Benzyl Methyl Sulfide
Tianjin Danjun International
Benzyl methyl sulfide
United International
Benzyl Methyl Sulfide
WholeChem
Benzyl methyl sulfide
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Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
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 benzyl methyl sulfide usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.09 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.02 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): ND (μg/person/day)
Threshold of Concern:540 (μg/person/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: 12
Click here to view publication 12
 average usual ppmaverage maximum ppm
baked goods: -0.20000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: -0.05000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: -0.05000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -0.10000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: -0.20000
soft candy: --
soups: -0.05000
sugar substitutes: --
sweet sauces: --
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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 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 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 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
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
Safety and efficacy of eight compounds belonging to different chemical groups when used as flavourings for cats and dogs
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 Substance Registry Services (TSCA): 766-92-7
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 13016
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 3334
WGK Germany: 3
 methylsulfanylmethylbenzene
Chemidplus: 0000766927
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References:
 methylsulfanylmethylbenzene
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 766-92-7
Pubchem (cid): 13016
Pubchem (sid): 134977939
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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
CHEBI: View
CHEMBL: View
HMDB (The Human Metabolome Database): HMDB31314
FooDB: FDB003371
Export Tariff Code: 2930.90.9999
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
FAO: Benzyl methyl sulfide
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Potential Blenders and core components note
 
For Odor
coffee
coffee
roasted arabica coffee bean oil CO2 extractFL/FR
 coffee difuranFL/FR
 furfuryl mercaptanFL/FR
floral
6,8-dimethyl-2-nonanolFR
marine
5-sec-butyl-2,3-dimethyl pyrazineFL/FR
 meaty dithianeFL/FR
4-methyl nonanoic acidFL/FR
 fish thiolFL/FR
 furfuryl thioacetateFL/FR
 
For Flavor
 
No flavor group found for these
2-butenoic acidFL
5-sec-butyl-2,3-dimethyl pyrazineFL/FR
2-isobutyl-4,5-dimethyl oxazoleFL
burnt
 tea pyrroleFL
coffee
roasted arabica coffee bean oil CO2 extractFL/FR
 coffee difuranFL/FR
2,4-dimethyl thiazoleFL
 furfuryl mercaptanFL/FR
corn chip
2-acetyl-2-thiazolineFL
eggy
isopropyl mercaptanFL
fatty
4,5-dimethyl-2-propyl oxazoleFL
4-methyl nonanoic acidFL/FR
2,4-octadien-1-olFL
green
2,5-dimethyl-4-ethyl oxazoleFL
meaty
4-allyl-2,6-dimethoxyphenolFL
2,5-dimethyl-3-furan thiolFL
 meaty dithianeFL/FR
3-mercapto-2-butanoneFL
2-methyl 3-(methyl thio) furanFL
2-methyl-3-tetrahydrofuran thiolFL
 pyrazinyl ethane thiolFL
2-pyridinyl methane thiolFL
nutty
3-acetyl-2,5-dimethyl thiopheneFL
roasted
 furfuryl thioacetateFL/FR
 hexyl mercaptanFL
sulfurous
 fish thiolFL/FR
3-methyl-2-butane thiolFL
 
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Potential Uses:
 beef roasted beefFL
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Occurrence (nature, food, other): note
 beef cooked beef
Search  PMC Picture
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Synonyms:
 benzene, ((methylthio)methyl)-
 benzene, (methylthio)methyl -
 benzene, [ (methylthio)methyl]-
 benzene, [(methylthio)methyl]-
 benzyl methyl sulphide
 benzyl(methyl)sulfane
 methyl benzyl sulfide
(methyl thio) methyl benzene
alpha-(methyl thio) toluene
((methyl thio)methyl) benzene
 methyl thiomethyl benzene
(methyl thiomethyl) benzene
alpha-methyl thiotoluene
[(methylsulfanyl)methyl]benzene
 methylsulfanylmethylbenzene
((methylthio)methyl)benzene
a-(methylthio)toluene
 methylthiomethylbenzene
1-phenyl-2-thiapropane
 PTF
 sulfide, benzyl methyl
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