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

benzyl methyl sulfide
1-phenyl-2-thiapropane

Sponsors

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 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
FLAVIS Number:12.077 (Old)
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: BENZYL METHYL SULFIDE
 
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 mm/Hg @ 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
 
Organoleptic Properties:
Odor Type: burnt
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
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
Benzyl Methyl Sulphide
Odor Description:Burnt, Meaty, Roast
 
Cosmetic Information:
None found
 
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, 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
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
Treatt
Benzyl Methyl Sulphide
Kosher
 
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
 
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)
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
 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: --
 
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

EPI System: View
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
 
References:
 methylsulfanylmethylbenzene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:766-92-7
Pubchem (cid):13016
Pubchem (sid):134977939
 
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 Everything Added to Food in the United States (EAFUS):View
CHEBI:View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB31314
FooDB:FDB003371
Export Tariff Code:2930.90.9999
Haz-Map:View
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:Benzyl methyl sulfide
 
Potential Blenders and core components note
For Odor
coffee
roasted arabica
coffee bean oil CO2 extract
FL/FR
coffee difuran
FL/FR
furfuryl mercaptan
FL/FR
floral
6,8-
dimethyl-2-nonanol
FR
marine
5-sec-
butyl-2,3-dimethyl pyrazine
FL/FR
meaty
meaty dithiane
FL/FR
4-
methyl nonanoic acid
FL/FR
sulfurous
fish thiol
FL/FR
furfuryl thioacetate
FL/FR
For Flavor
No flavor group found for these
2-
butenoic acid
FL
5-sec-
butyl-2,3-dimethyl pyrazine
FL/FR
2-iso
butyl-4,5-dimethyl oxazole
FL
burnt
burnt
tea pyrrole
FL
coffee
roasted arabica
coffee bean oil CO2 extract
FL/FR
coffee difuran
FL/FR
2,4-
dimethyl thiazole
FL
furfuryl mercaptan
FL/FR
corn chip
2-
acetyl-2-thiazoline
FL
eggy
iso
propyl mercaptan
FL
fatty
4,5-
dimethyl-2-propyl oxazole
FL
4-
methyl nonanoic acid
FL/FR
2,4-
octadien-1-ol
FL
green
2,5-
dimethyl-4-ethyl oxazole
FL
meaty
4-
allyl-2,6-dimethoxyphenol
FL
2,5-
dimethyl-3-furan thiol
FL
meaty dithiane
FL/FR
3-
mercapto-2-butanone
FL
2-
methyl 3-(methyl thio) furan
FL
2-
methyl-3-tetrahydrofuran thiol
FL
pyrazinyl ethane thiol
FL
2-
pyridinyl methane thiol
FL
nutty
3-
acetyl-2,5-dimethyl thiophene
FL
roasted
furfuryl thioacetate
FL/FR
hexyl mercaptan
FL
sulfurous
fish thiol
FL/FR
3-
methyl-2-butane thiol
FL
 
Potential Uses:
FLbeef roasted beef
 
Occurrence (nature, food, other):note
 beef cooked beef
Search PMC Picture
 
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
 
 
Notes:
Flavouring agent. Present in cooked pork
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