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  1. 1.
    General Material Information
  2. 2.
    PhysChem Properties
  3. 3.
    Occurrences
  4. 4.
    Organoleptic Properties
  5. 5.
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  6. 6.
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benzyl disulfide

Chemical Structure

General Material Information

Preferred name benzyl disulfide
Trivial Name Dibenzyl disulfide
Short Description dibenzyl disulfide
Formula C14 H14 S2
CAS Number 150-60-7
Deleted CAS Number 325737-14-2
FEMA Number 3617
Flavis Number 12.081
ECHA Number 205-764-0
FDA UNII BG7680605N
Nikkaji Number J60.275B
Beilstein Number 1110443
MDL MFCD00004783
xLogP3-AA 3.90 (est)
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 579 benzyl disulfide
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 150-60-7 ; BENZYL DISULFIDE
Synonyms
  • benzyl disulphide
  • alpha-( benzyl dithio) toluene
  • alpha- benzyl dithiotoluene
  • benzyldisulfanylmethylbenzene
  • a-( benzyldithio)toluene
  • di(phenyl methyl) disulfide
  • di(phenylmethyl) disulfide
  • di(phenylmethyl)disulfide
  • dibenzyl disulfide
  • dibenzyl disulphide
  • dibenzyldisulfide
  • diphenyl methyl disulfide
  • 1,4-diphenyl-1,2,3-dithiobutane
  • 1,4-diphenyl-2,3-dithiabutane
  • 1,4-diphenyl-2,3-dithiobutane
  • diphenylmethyl disulfide
  • 1,1'-[ disulfanediylbis(methylene)]dibenzene
  • 1,1'-( disulfanediyldimethanediyl)dibenzene
  • disulfide, bis(phenylmethyl)
  • disulfide, dibenzyl
  • 1,1'-[ dithiobis(methylene)]dibenzene
  • bis( phenyl methyl) disulfide
  • bis( phenylmethyl) disulfide
  • phenylmethyldisulfanylmethylbenzene
  • Bis(phenylmethyl) disulfide
  • Benzyl bisulfide
  • α-(Benzyldithio)toluene
  • 1,4-Diphenyl-2,3-dithiabutane
  • BDS
  • Dailube S 700
  • S 700
  • NSC 677465
  • NSC 6841
  • T 322
  • 1,2-Dibenzyldisulfane
  • (Benzyldisulfanyl)methylbenzene

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

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Literature & References

benzyldisulfanylmethylbenzene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:150-60-7
Pubchem (cid):9012
Pubchem (sid):134973080
Pherobase:View
Publications by PubMed
Sulfur-doped porous reduced graphene oxide hollow nanosphere frameworks as metal-free electrocatalysts for oxygen reduction reaction and as supercapacitor electrode materials.
Organometallic synthesis, structure determination, shape evolution, and formation mechanism of hexapod-like ternary PbSe(x)S(1-x) nanostructures with tunable compositions.
A Petiveria alliacea standardized fraction induces breast adenocarcinoma cell death by modulating glycolytic metabolism.
Fluxional cyclic seleninate ester: NMR and computational studies, glutathione peroxidase-like behavior, and unexpected rearrangement.
Simultaneous liquid-liquid extraction of dibenzyl disulfide, 2,6-di-tert-butyl-p-cresol, and 1,2,3-benzotriazole from power transformer oil prior to GC and HPLC determination.
Functional groups and sulfur K-edge XANES spectra: divalent sulfur and disulfides.
A fragment-based approach to probing adenosine recognition sites by using dynamic combinatorial chemistry.
[Determination of bis (p-fluorobenzyl) trisulfide and bis (p-fluoro-benzyl) disulfide in lungs of rat by HPLC].
Antioxidant activity of the new thiosulfinate derivative, S-benzyl phenylmethanethiosulfinate, from Petiveria alliacea L.
Patch testing with components of water-based metalworking fluids: results of a multicentre study with a second series.
Aromatic derivatives and tellurium analogues of cyclic seleninate esters and spirodioxyselenuranes that act as glutathione peroxidase mimetics.
Synthesis of radioiodine labeled dibenzyl disulfide for evaluation of tumor cell uptake.
Diselenides and allyl selenides as glutathione peroxidase mimetics. Remarkable activity of cyclic seleninates produced in situ by the oxidation of allyl omega-hydroxyalkyl selenides.
Sulfur compounds reduce potato toxins during extrusion cooking.
Fungal cleavage of thioether bond found in Yperite.
Degradation of organic sulfur compounds by a coal-solubilizing fungus.
Acetyl benzyl disulfide.
Chemical transformation of S-benzyl O-ethyl phenylphosphonothiolate (Inezin) by ultraviolet light.
Alteration of O,O-dimethyl S-[alpha-(carboethoxy)benzyl] phosphorodithioate (phenthoate) in citrus, water, and upon exposure to air and sunlight.
Movement and metabolism of S-benzyl O,O-diisopropyl phosphorothiolate (Kitazin P) and O-ethyl S,S-diphenyl phosphorodithiolate (edifenphos) in various types of soils.

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
UM BBD:Search
HMDB (The Human Metabolome Database):HMDB32077
FooDB:FDB008792
Export Tariff Code:2930.90.2900
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:Benzyl disulfide

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 246.39558410645
Melting Point 71 to 73°C @ 760 mm Hg
Vapor Pressure 2.0E-5 mmHg @ 25 °C
Flash Point TCC Value 217.2 °C TCC
logP (o/w) 4.951 est
Solubility
ether, hot Yes
ethyl alcohol, hot Yes
ethyl alcohol, very slightly Yes
water, 0.7537 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Smoky
smoky, burnt, earthy, green, caramellic
General comment At 0.10 % in propylene glycol. smoky burnt earthy green caramel

Occurrences

Potential Uses

Applications
Flavoring purposes Caramel, Smoke

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 22 - Harmful if swallowed.
R 36/37 - Irritating to eyes and respiratory system.
R 43 - May cause sensitisation by skin contact.
S 02 - Keep out of the reach of children.
S 22 - Do not breath dust.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37 - Wear suitable protective clothing and gloves.
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 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: 12
Click here to view publication 12
average usual ppmaverage maximum ppm
baked goods: -1.00000
beverages(nonalcoholic): -1.30000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.30000
fruit ices: --
gelatins / puddings: -1.30000
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -1.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: -1.30000
soups: --
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 74 (FGE.74)[1]: Consideration of Simple Aliphatic Sulphides and Thiols evaluated by JECFA (61st meeting) Structurally related to Aliphatic and Alicyclic Mono-, Di-, Tri-, and Polysulphides with or without Additional Oxygenated Functional Groups from Chemical Group 20 evaluated by EFSA in FGE.08 (2008)
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

Flavouring Group Evaluation 91 (FGE.91): 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.08Rev1 (2009)
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
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):150-60-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :9012
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
benzyldisulfanylmethylbenzene
Chemidplus:0000150607
RTECS:JO1750000 for cas# 150-60-7