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methyl benzyl disulfide

Chemical Structure

General Material Information

Preferred name methyl benzyl disulfide
Trivial Name Benzyl methyl disulfide
Short Description benzyl methyl disulfide
Formula C8 H10 S2
CAS Number 699-10-5
FEMA Number 3504
Flavis Number 12.068
ECHA Number 211-826-8
FDA UNII Q451CNJ59W
Nikkaji Number J87.555D
Beilstein Number 2079563
COE Number 11508
xLogP3-AA 2.40 (est)
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 577 methyl benzyl disulfide
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 699-10-5 ; METHYL BENZYL DISULFIDE
Synonyms
  • benzyl dithiomethane
  • benzyl methyl disulfide
  • benzyl methyl disulphide
  • benzyldithiomethane
  • disulfide, benzyl methyl
  • disulfide, methyl phenylmethyl
  • methyl phenyl methyl disulfide
  • methyl phenylmethyl disulfide
  • [( methyldisulfanyl)methyl]benzene
  • methyldisulfanylmethylbenzene
  • NSC 677547
  • [(Methyldisulfanyl)methyl]benzene

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB40590
FooDB:FDB020373
Export Tariff Code:2930.90.9999
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:Methyl benzyl disulfide

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 170.29769897461
Specific gravity @ 20 °C
Pounds per Gallon 8.522 to 8.589
Refractive Index 1.558 to 1.565 @ 20 °C
Melting Point 61 to 62°C @ 760 mm Hg
Boiling Point 195 to 197°C @ 760 mm Hg
Boiling Point 82 to 86°C @ 0.8 mm Hg
Vapor Pressure 0.008 mmHg @ 25 °C
Flash Point TCC Value 140.56 °C TCC
logP (o/w) 3.633 est
Solubility
alcohol Yes
water, 53.61 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Sulfurous
sulfurous, cabbage, vegetable, green, metallic
General comment At 0.10 % in propylene glycol. sulfurous cabbage vegetable green metallic
Mosciano, Gerard P&F 17, No. 6, 41, (1992) At 1.00 % in ethyl alcohol. Sulfureous cabbage-like, vegetative with a green metallic nuance
Flavor Type: Sulfurous
sulfurous, vegetable, metallic, green, onion
Mosciano, Gerard P&F 17, No. 6, 41, (1992) At 5.00 ppm. Sulfureous, vegetative, metallic, green, with an onion nuance

Occurrences

Potential Uses

Applications
Odor purposes Spice
Flavoring purposes Beef, Cabbage, Egg, Meat, Radish, Savory, Savory, Soup, Tomato

Safety Information

Safety information

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:
oral-mouse LD50 [sex: M,F] 1080 mg/kg
(Bailey, 1976c)

oral-mouse LD50 1080 mg/kg
Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavoring agents
Recommendation for methyl benzyl disulfide usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (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: 10
Click here to view publication 10
average usual ppmaverage maximum ppm
baked goods: -0.30000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: -0.30000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -0.30000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -0.30000
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 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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):699-10-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12779
National Institute of Allergy and Infectious Diseases:Data
methyldisulfanylmethylbenzene
Chemidplus:0000699105