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Dibenzyl disulfide

Dibenzyl disulfide structure

CAS No:
150-60-7
Formula:
C14H14S2
Chemical Name:
Dibenzyl disulfide
Synonyms:
Disulfide,bis(phenylmethyl);Benzyl disulfide;Bis(phenylmethyl) disulfide;Benzyl bisulfide;α-(Benzyldithio)toluene;Dibenzyl disulfide;Di(phenylmethyl)disulfide;1,4-Diphenyl-2,3-dithiabutane;BDS;Dibenzyl disulphide;Dailube S 700;S 700;NSC 677465;NSC 6841;T 322;1,2-Dibenzyldisulfane;(Benzyldisulfanyl)methylbenzene;325737-14-2
Categories:
Flavors and Fragrances > Synthetic Fragrances

Description

Solid

Originating from Petiveria alliacea L. This compound along with the other sulfur-containing compound found in this plant display antibacterial and antifungal activity.

Solid|pale yellowish leafy crystals or leaflets with "burnt caramellic" odour

Dibenzyl disulfide is an organic disulfide that results from the formal oxidative dimerisation of benzyl thiol. It has a role as a metabolite. It is an organic disulfide and an organic aromatic compound.

Dibenzyl disulfide Basic Attributes

Molecular Weight：

246.39

Exact Mass：

246.39

BRN：

1110443

EC Number：

205-764-0

UNII：

BG7680605N

NSC Number：

677465|6841

DSSTox ID：

DTXSID6059738

HScode：

2930909090

Characteristics

PSA：

50.6

XLogP3：

5.35

Appearance：

Solid

Density：

1.085 g/cm³ @ Temp: 100.2 °C

Melting Point：

71.5 °C

Boiling Point：

142-148 °C @ Press: 0.05-0.1 Torr

Flash Point：

150°C

Refractive Index：

1.643

Water Solubility：

insoluble or slightly soluble in water; soluble in hot alcohol, ether

Storage Conditions：

Refrigerator

Vapor Pressure：

2.91E-05mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

22-36/37-37-24

RTECS Number：

JO1750000

Marks：

Precautionary statement(s)：

P280

Hazard Statements：

H317

GHS Classification：

|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Toxicity

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
SKIN/EYE IRRITATION DATA	Standard Draize test	Administration onto the skin	Rodent - rabbit	500 mg/24H	--	Prehled Prumyslove Toxikologie; Organicke Latky, Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,993,1986
SKIN/EYE IRRITATION DATA	Standard Draize test	Administration into the eye	Rodent - rabbit	500 mg/24H	--	Prehled Prumyslove Toxikologie; Organicke Latky, Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,993,1986

Drug Information

MeSH Entry Terms：

bis(phenylmethyl) disulfide

Dibenzyl disulfide Use and Manufacturing

Methods of Manufacturing

From the synthesis of benzyl chloride and Na2S2. It can also be derived from the oxidation of benzyl mercaptan.

Uses

Antioxidant in rubber compounding, stabilizer for petroleum fractions, additive to silicone oils.The soly in oils is increased by the presence of benzyl alcohol.

Manufacturing Info：

Disulfide, bis(phenylmethyl): ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Analysis Methods

Name	Column Shape	Active Phase(℃)	Retention index	Temperature Control	Method	Comments	Reference
Normal alkane RI, non-polar column, temperature ramp	Capillary	DB-5MS	2070.		temperature ramp	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 270. C	Zoghbi, M.G.B.Andrade, E.H.A.Maia, J.G.S.Volatile constituents from Adenocalymma alliaceum Miers and Petiveria alliacea L., two medicinal herbs of the AmazonFlavour Fragr. J.2002, 17, 2, 133-135.

Computed Properties

Molecular Weight:246.4
XLogP3:3.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:246.05369279
Monoisotopic Mass:246.05369279
Topological Polar Surface Area:50.6
Heavy Atom Count:16
Complexity:150
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

94570-31-7

54829-40-2

103-82-2

Material

Benzyl chloride

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Guide of Dibenzyl disulfide

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Use and Manufacturing
Analysis Methods
Computed Properties
Synthesis Route
Material
Recommended Suppliers
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