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

methyl benzyl disulfide
benzyl methyl disulfide

Supplier Sponsors

Name:methyldisulfanylmethylbenzene
CAS Number: 699-10-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:211-826-8
FDA UNII:Q451CNJ59W
Nikkaji Web:J87.555D
Beilstein Number:2079563
CoE Number:11508
XlogP3-AA:2.40 (est)
Molecular Weight:170.29770000
Formula:C8 H10 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
JECFA Food Flavoring:577 methyl benzyl disulfide
FLAVIS Number:12.068 (Old)
DG SANTE Food Flavourings:12.068 benzyl methyl disulfide
FEMA Number:3504 methyl benzyl disulfide
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: METHYL BENZYL DISULFIDE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 99.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.02300 to 1.03100 @ 20.00 °C.
Pounds per Gallon - (est).: 8.522 to 8.589
Refractive Index:1.55800 to 1.56500 @ 20.00 °C.
Melting Point: 61.00 to 62.00 °C. @ 760.00 mm Hg
Boiling Point: 195.00 to 197.00 °C. @ 760.00 mm Hg
Boiling Point: 82.00 to 86.00 °C. @ 0.80 mm Hg
Vapor Pressure:0.008000 mm/Hg @ 25.00 °C. (est)
Flash Point: 285.00 °F. TCC ( 140.56 °C. )
logP (o/w): 3.633 (est)
Soluble in:
 alcohol
 water, 53.61 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
allyl methyl disulfide
amyl methyl disulfide
diphenyl methyl disulfide
ethyl methyl disulfide
methyl phenyl methyl disulfide
2-methyl-3-furyl methyl disulfide
2-methyl-3-furyl methyl thiomethyl disulfide
isopentyl methyl disulfide
phenyl methyl disulfide
1-propenyl methyl disulfide
propyl methyl disulfide
 
Organoleptic Properties:
Odor Type: sulfurous
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
sulfurous cabbage vegetable green metallic
Odor Description:at 0.10 % in propylene glycol. sulfurous cabbage vegetable green metallic
sulfurous cabbage vegetable green metallic
Odor Description:at 1.00 % in ethyl alcohol. Sulfureous cabbage-like, vegetative with a green metallic nuance
Mosciano, Gerard P&F 17, No. 6, 41, (1992)
Flavor Type: sulfurous
sulfurous vegetable metallic green onion
Taste Description: at 5.00 ppm. Sulfureous, vegetative, metallic, green, with an onion nuance
Mosciano, Gerard P&F 17, No. 6, 41, (1992)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Methyl Benzyl Disulfide
DeLong Chemicals America
Benzyl methyl disulfide
Jiangyin Healthway
Benzyl methyl disulphide
New functional food ingredients
Penta International
BENZYL METHYL DISULFIDE, Kosher
R C Treatt & Co Ltd
Benzyl Methyl Disulphide
Halal, Kosher
Odor: Sulphurous, vegetative, metallic; green, onion-cabbage notes
Flavor: sulphurous
Used in spice, meat, soup and savoury flavour rs. Normal use levels in finished consumer product: 0.003-0.3 ppm.Note: disulphides and higher sulphides can react with nucleophilic species, especially thiols/mercaptans, leading to disproportionation and rearrangement; hence, new disulphides are formed in a foodstuff or flavour formulation.
Synerzine
Methyl Benzyl Di-sulfide
Tengzhou Jitian Aroma Chemiclal
Methyl Benzyl Disulfide
WholeChem
Benzyl methyl disulfide
 
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
 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
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
 
References:
 methyldisulfanylmethylbenzene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:699-10-5
Pubchem (cid):12779
Pubchem (sid):134976797
 
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
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
 
Potential Blenders and core components note
For Odor
alliaceous
propyl mercaptan
FL/FR
cheesy
S-(
methyl thio) butyrate
FL/FR
coffee
coffee difuran
FL/FR
ethereal
2-
methyl valeraldehyde
FL/FR
floral
(Z)-3-
hexen-1-yl salicylate
FL/FR
hexyl nonanoate
FL/FR
fruity
ethyl 3-hexenoate
FL/FR
ethyl isovalerate
FL/FR
2-
heptyl butyrate
FL/FR
tropical thiazole
FL/FR
green
2-iso
butyl pyrazine
FL/FR
cucumber essence
FL/FR
geranium thiazole
FL/FR
green ether
FL/FR
1-
hepten-3-ol
FL/FR
(Z)-4-
heptenal
FL/FR
(Z)-4-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl (E)-crotonate
FL/FR
(Z)-3-
hexen-1-yl octanoate
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
4-
hexenol
FL/FR
2-
octen-1-ol
FL/FR
1-
penten-3-ol
FL/FR
iso
propyl decanoate
FL/FR
4-iso
propyl quinoline
FL/FR
herbal
3-
butylidene phthalide
FL/FR
melon
(Z)-6-
nonen-1-ol
FL/FR
minty
iso
propyl tiglate
FL/FR
sulfurous
cassis pentanone
FL/FR
dimethyl disulfide
FL/FR
dimethyl sulfide
FL/FR
grapefruit menthane
FL/FR
methyl mercaptan
FL/FR
3-(
methyl thio) hexanol
FL/FR
S-
tropical 2-thiobutyrate
FL/FR
waxy
propyl decanoate
FL/FR
For Flavor
No flavor group found for these
2-iso
butyl pyrazine
FL/FR
epoxy-2-decenal
FL
2-
ethyl-4,5-dimethyl oxazole
FL
2-
heptyl butyrate
FL/FR
(Z)-3-
hexen-1-yl (E)-crotonate
FL/FR
(E)-4-
hexenal
FL
hexyl nonanoate
FL/FR
mercaptoacetaldehyde
FL
S-
methyl benzothioate
FL
2-
methyl thiazole
FL
4-(
methyl thio) butanol
FL
2-(
methyl thio) methyl-2-butenal
FL
4-
methyl thiobutyl isothiocyanate
FL
5-
methyl thiopentyl isothiocyanate
FL
2-
methyl-5-methoxythiazole
FL
2-
methyl-6-propoxypyrazine
FL
iso
propyl decanoate
FL/FR
propyl decanoate
FL/FR
iso
propyl disulfide
FL
propyl mercaptan
FL/FR
2-iso
propyl pyridine
FL
4-iso
propyl quinoline
FL/FR
2-iso
propyl-3-(methyl thio) pyrazine
FL
tetrahydrothiophene
FL
S-
tropical 2-thiobutyrate
FL/FR
alliaceous
alliaceous
3-
tetrahydrothiophenone
FL
tropical thiazole
FL/FR
celery
3-
butylidene phthalide
FL/FR
coffee
coffee difuran
FL/FR
fatty
2-
octen-1-ol
FL/FR
fruity
ethyl 3-hexenoate
FL/FR
ethyl isovalerate
FL/FR
methionyl butyrate
FL
green
cassis pentanone
FL/FR
cucumber essence
FL/FR
dihydroxyacetophenone (mixed isomers)
FL
geranium thiazole
FL/FR
green ether
FL/FR
1-
hepten-3-ol
FL/FR
(Z)-4-
heptenal
FL/FR
(E)-2-
heptenal
FL
(Z)-4-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl octanoate
FL/FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
3-(5-
methyl-2-furyl) butanal
FL
1-
penten-3-ol
FL/FR
2-
propyl pyrazine
FL
iso
propyl tiglate
FL/FR
propylene glycol acetone ketal
FL
meaty
pyrazinyl ethane thiol
FL
metallic
4-
hexenol
FL/FR
3-(
methyl thio) hexanol
FL/FR
mushroom
methional diethyl acetal
FL
musty
S-(
methyl thio) butyrate
FL/FR
onion
methyl propyl trisulfide
FL
sulfurous
butyl mercaptan
FL
diallyl trisulfide
FL
dimethyl disulfide
FL/FR
dimethyl sulfide
FL/FR
ethyl methyl sulfide
FL
furfuryl methyl sulfide
FL
grapefruit menthane
FL/FR
methyl 4-(methyl thio) butyrate
FL
methyl mercaptan
FL/FR
methyl thioacetate
FL
vegetable
2-
methyl valeraldehyde
FL/FR
radish isothiocyanate
FL
waxy
(Z)-6-
nonen-1-ol
FL/FR
 
Potential Uses:
FLbeef
FLcabbage
FLegg
FLmeat
 radish
FLsavory
FLsavory
 soup
 spice
FLtomato
 
Occurrence (nature, food, other):note
 cocoa roasted cocoa
Search Trop Picture
 
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
 
 
Notes:
Present in cocoa and roasted peanut. Flavouring ingredient
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