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

diphenyl disulfide
phenyl disulfide

Supplier Sponsors

Name:phenyldisulfanylbenzene
CAS Number: 882-33-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:212-926-4
FDA UNII:7P54H519IJ
Nikkaji Web:J2.117B
Beilstein Number:639794
MDL:MFCD00003065
CoE Number:11757
XlogP3:4.40 (est)
Molecular Weight:218.34170000
Formula:C12 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:578 phenyl disulfide
FLAVIS Number:12.043 (Old)
DG SANTE Food Flavourings:12.043 diphenyl disulfide
FEMA Number:3225 phenyl disulfide
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):882-33-7 ; PHENYL DISULFIDE
 
Physical Properties:
Appearance:white orthorhombic needles (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 59.00 to 62.00 °C. @ 760.00 mm Hg
Boiling Point: 310.00 °C. @ 760.00 mm Hg
Boiling Point: 192.00 °C. @ 15.00 mm Hg
Vapor Pressure:0.001000 mmHg @ 25.00 °C. (est)
Vapor Density:7.53 ( Air = 1 )
Flash Point: 352.00 °F. TCC ( 177.78 °C. )
logP (o/w): 4.410
Soluble in:
 alcohol
 ether
 water, 6.019 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: sulfurous
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
sulfurous earthy burnt
Odor Description:at 0.10 % in propylene glycol. sulfurous earthy burnt
Flavor Type: sulfurous
sulfurous earthy
Taste Description: sulfurous earthy
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Thiophenol Dimer (Impurity E) > 95%
Odor: characteristic
Use: An impurity of Nelfinavir, which is a potent and orally bioavailable human immunodeficiency virus HIV-5 protease inhibitor.
EMD Millipore
For experimental / research use only.
Diphenyl Disulfide
Penta International
PHENYL DISULFIDE, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
Phenyl disulfide
Sigma-Aldrich: Aldrich
For experimental / research use only.
Phenyl disulfide 99%
Synerzine
Diphenyl Disulfide
TCI AMERICA
For experimental / research use only.
Diphenyl Disulfide >99.0%(GC)
Tengzhou Jitian Aroma Chemiclal
Diphenyl Disulfide
 
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 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
 
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:
intraperitoneal-mouse LD50 100 mg/kg
National Technical Information Service. Vol. AD277-689

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for diphenyl disulfide usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/day)
Structure Class: III
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: 4
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.00000
fruit ices: -1.00000
gelatins / puddings: -1.00000
granulated sugar: --
gravies: --
hard candy: -1.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
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
Cancer Citations:Search
Toxicology Citations:Search
Env. Mutagen Info. Center:Search
EPA Substance Registry Services (TSCA):882-33-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :13436
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
phenyldisulfanylbenzene
Chemidplus:0000882337
RTECS:SS6825000 for cas# 882-33-7
 
References:
 phenyldisulfanylbenzene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:882-33-7
Pubchem (cid):13436
Pubchem (sid):134978939
 
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 Substances Added to Food (formerly EAFUS):View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB31823
FooDB:FDB008501
Export Tariff Code:2930.90.2900
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
FAO:Phenyl disulfide
 
Potential Blenders and core components note
For Odor
alliaceous
dipropyl disulfide
FL/FR
fruity
tropical thiazole
FL/FR
tropical trithiane
FL/FR
sulfurous
furfuryl thioacetate
FL/FR
tropical
tropical 3-thiobutyrate
FL/FR
For Flavor
No flavor group found for these
benzyl disulfide
FL
dimethyl dihydrocyclopentapyrazine
FL
6,7-
dimethyl dihydrocyclopentapyrazine
FL
alliaceous
alliaceous
dipropyl disulfide
FL/FR
tropical thiazole
FL/FR
fruity
tropical trithiane
FL/FR
malty
yeast thiazoline
FL
roasted
furfuryl thioacetate
FL/FR
solvent
2-
ethyl furan
FL
sulfurous
tropical 3-thiobutyrate
FL/FR
vegetable
radish isothiocyanate
FL
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 biphenyl disulfide
1,2-diphenyldisulfane
1,1'-disulfanediyldibenzene
 disulfide diphenyl
 disulfide, diphenyl
1,1'-dithiodibenzene
 phenyl disulfide
 phenyl disulphide
 phenyl dithiobenzene
 phenyldisulfanylbenzene
 phenyldisulfide
 phenyldithiobenzene
 

Articles:

US Patents:3,952,024 - Furfurylthioacetone
PubMed:Formation pathway of Roussin's red ester (RRE) via the reaction of a {Fe(NO)2}(10) dinitrosyliron complex (DNIC) and thiol: facile synthetic route for synthesizing cysteine-containing DNIC.
US Patents:3,931,166 - Certain 2,5-dimethyl-3-thiopyrazines
PubMed:Synthesis, guest-binding, and reduction-responsive degradation properties of water-soluble cyclophanes having disulfide moieties.
US Patents:3,968,264 - Flavoring agent
PubMed:Inhibition of biofilm formation, quorum sensing and infection in Pseudomonas aeruginosa by natural products-inspired organosulfur compounds.
PubMed:Deprotonative metalation of aromatic compounds by using an amino-based lithium cuprate.
PubMed:Sulfur-substituted tetrahedranes.
PubMed:Synthesis of stable silicon heterocycles by reaction of organic substrates with a chlorosilylene [PhC(NtBu)2SiCl].
PubMed:Functional groups and sulfur K-edge XANES spectra: divalent sulfur and disulfides.
PubMed:Cesium carbonate-catalyzed alpha-phenylchalcogenation of carbonyl compounds with diphenyl dichalcogenide.
PubMed:Heterolytic cleavage of disulfides by frustrated Lewis pairs.
PubMed:Reductive addition of the benzenethiyl radical to alkynes by amine-mediated single electron transfer reaction to diphenyl disulfide.
PubMed:Photosensitized oxidation of alkyl phenyl sulfoxides. C-S bond cleavage in alkyl phenyl sulfoxide radical cations.
PubMed:Antioxidant activity of the new thiosulfinate derivative, S-benzyl phenylmethanethiosulfinate, from Petiveria alliacea L.
PubMed:Raman spectroscopy of benzenethiolates on nanometer-scale gold clusters.
PubMed:Mononitrosyl tris(thiolate) iron complex [Fe(NO)(SPh)3]- and dinitrosyl iron complex [(EtS)2Fe(NO)2]-: formation pathway of dinitrosyl iron complexes (DNICs) from nitrosylation of biomimetic rubredoxin [Fe(SR)4]2-/1- (R = Ph, Et).
PubMed:Temporary anion states and dissociative electron attachment in diphenyl disulfide.
PubMed:Disulfidation of alkynes and alkenes with gallium trichloride.
PubMed:The reaction of allyl and benzylarsonic acids with thiols: mechanistic aspects and implications for dioxygen activation by trivalent arsenic compounds.
PubMed:Capillary electrophoresis with laser induced-fluorescence detection of profens derivatized with the water-soluble fluorogenic reagent 4-N-(4-N'-aminoethyl)piperazino-7-nitro-2,1,3-benzoxadiazole.
PubMed:Organochalcogens effects on delta-aminolevulinate dehydratase activity from human erythrocytic cells in vitro.
PubMed:Rhodium-catalyzed disulfide exchange reaction.
PubMed:Preparation of tri- and difluoromethylsilanes via an unusual magnesium metal-mediated reductive tri- and difluoromethylation of chlorosilanes using tri- and difluoromethyl sulfides, sulfoxides, and sulfones.
PubMed:Diazenecarboxamide UP-91, a potential anticancer agent, acts by reducing cellular glutathione content.
PubMed:Antioxidant properties of new chalcogenides against lipid peroxidation in rat brain.
PubMed:Oxygen transfer reactions. 4. Reaction of high valent oxoruthenium compounds with sulfides.
PubMed:Diphenyl disulfide and sodium in NMP as an efficient protocol for in situ generation of thiophenolate anion: selective deprotection of aryl alkyl ethers and alkyl/aryl esters under nonhydrolytic conditions.
PubMed:Solid state optical activity of dichalcogenides: isolation by chiral crystallization and determination of absolute configuration.
PubMed:Synthesis, structure, and reactions of (acylimino)triaryl-lambda(5)-bismuthanes: first comparative study of the (acylimino)pnictorane series.
PubMed:Highly Selective Thioselenation of Vinylcyclopropanes with a (PhS)(2)-(PhSe)(2) Binary System and Its Application to Thiotelluration.
PubMed:Co-oxidation of 2,2,5,7,8-pentamethyl-6-chromanol and diphenyl disulfide with 3-chloroperoxybenzoic acid.
PubMed:Glutathione peroxidase-like antioxidant activity of diaryl diselenides: a mechanistic study.
PubMed:Screening of organosulfur compounds as inhibitors of human CYP2A6.
PubMed:Comparative Behavior of Aromatic Disulfide and Diselenide Monolayers on Polycrystalline Gold Films Using Cyclic Voltammetry, STM, and Quartz Crystal Microbalance.
PubMed:The fate of diphenyl sulphide, diphenyl sulphoxide and diphenyl sulphone in the rat.
PubMed:Effect of Co-Adsorbed Surfactant on the Structure of Self-Assembled Monolayer of Thiol on Polycrystalline Gold.
PubMed:Suppressing effects of S-methyl methanethiosulfonate and diphenyl disulfide on mitomycin C-induced somatic mutation and recombination in Drosophila melanogaster and micronuclei in mice.
PubMed:Suppression of aflatoxin B1- or methyl methanesulfonate-induced chromosome aberrations in rat bone marrow cells after treatment with S-methyl methanethiosulfonate.
PubMed:Thiol oxidation by 1,2,3-oxadiazolinium ions, presumed carcinogens.
PubMed:Catalytic effects of glutathione peroxidase mimetics on the thiol reduction of cytochrome c.
PubMed:Phenylselenenyl- and phenylthio-substituted pyrimidines as inhibitors of dihydrouracil dehydrogenase and uridine phosphorylase.
PubMed:Degradation of organic sulfur compounds by a coal-solubilizing fungus.
PubMed:Synthesis of L-gulose, L-galactose, and their acetylated aldehydo forms from 6-S-phenyl-6-thio-D-hexoses.
PubMed:Diphenyldisulfide inhibits indomethacin-induced ulcerogenesis in rats.
PubMed:Molecular modeling and enzyme kinetics indicate a novel mechanism for mammalian 5-lipoxygenase.
PubMed:Inhibition of mammalian 5-lipoxygenase by aromatic disulfides.
PubMed:Pyrrolopyrimidine nucleosides. 18. Synthesis and chemotherapeutic activity of 4-amino-7-(3-deoxy-beta-D-ribofuranosyl)pyrrolo[2,3-d] pyrimidine-5-carboxamide (3'-deoxysangivamycin) and 4-amino-7-(2-deoxy-beta-D-ribofuranosyl)pyrrolo[2,3-d] pyrimidine-5-carboxamide (2'-deoxysangivamycin).
PubMed: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.
PubMed:Letter: Silyl phosphites. I. The reaction of silyl phosphites with diphenyl disulfide. Synthesis of S-phenyl nucleoside phosphorothioates.
PubMed:[The diamides of phenyl-dithiobenzene-2,2', -3,3'- and 4,4'-disulfonic acids].
 
Notes:
Flavouring ingredient Diphenyl disulfide is the chemical compound with the formula [C6H5S]2. This colorless crystalline material is often abbreviated Ph2S2. It is one of the most popular organic disulfides used in organic synthesis. Minor contamination by thiophenol is responsible for the disagreeable odour associated with this compound.
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