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Basic Information
CAS No.: 2179-57-9
Name: Diallyldisulfide
Article Data: 76
Molecular Structure:
Molecular Structure of 2179-57-9 (Diallyldisulfide)
Formula: C6H10S2
Molecular Weight: 146.277
Synonyms: Allyldisulfide (6CI,7CI,8CI);4,5-Dithia-1,7-octadiene;Bis(2-propenyl) disulfide;Di(2-propenyl) disulfide;Diallyl disulfide;Diallyl disulphide;Dipropenyldisulfide;Garlicin;NSC 29228;
EINECS: 218-548-6
Density: 1.003 g/cm3
Boiling Point: 185 °C at 760 mmHg
Flash Point: 42.4 °C
Solubility: Insoluble in water
Appearance: clear yellow liquid
Hazard Symbols: HarmfulXn,IrritantXi
Risk Codes: 22-36/37/38-10
Safety: 26-36/37/39-37/39-16-36
Transport Information: UN 2810 6.1/PG 3
PSA: 50.60000
LogP: 2.73980
Synthetic route
870-23-5

prop-2-ene-1-thiol

2179-57-9

diallyl disulphide

Conditions
ConditionsYield
With nanophase manganese (VII) oxide coated clay (NM7O coated clay) In toluene at 40℃; for 3h;99%
With water; dihydrogen peroxide In various solvent(s) at 20℃; for 0.166667h; Oxidation; Dimerization;94%
CoCl2 In acetonitrile Ambient temperature;90%
106-95-6

allyl bromide

2179-57-9

diallyl disulphide

Conditions
ConditionsYield
With 1,2-bis(5-methylisoxazol-3-yl)hydrazine; sodium carbonate; thiourea In water; acetonitrile at 80℃; for 2h;95%
With sodium sulfide trihydrate; hexachloroethane at 20℃; for 0.833333h; Reagent/catalyst;93%
With Sodium thiosulfate pentahydrate; water; dimethyl sulfoxide at 50 - 60℃; for 3.5h; pH=< 3;91%
107-05-1

3-chloroprop-1-ene

2179-57-9

diallyl disulphide

Conditions
ConditionsYield
With lithium sulfide; sulfur; cetyl trimethyl ammonium bromide In chloroform; water for 1h; Ambient temperature;95%
With 1,2-bis(5-methylisoxazol-3-yl)hydrazine; sodium carbonate; thiourea In water; acetonitrile at 80℃; for 3h;92%
With sodium sulfide trihydrate; hexachloroethane at 20℃; for 1h; Reagent/catalyst;91%
106-95-6

allyl bromide

17356-08-0

thiourea

2179-57-9

diallyl disulphide

Conditions
ConditionsYield
With tetrachloromethane; water; triethylamine In glycerol at 50℃; for 12h;94%
With sodium carbonate In water; acetonitrile at 80℃; for 3h;92%
4873-09-0

allyl tosylate

2179-57-9

diallyl disulphide

Conditions
ConditionsYield
With sodium carbonate; sulfur; thiourea In water at 70℃; for 5h; Green chemistry;90%
17356-08-0

thiourea

107-05-1

3-chloroprop-1-ene

2179-57-9

diallyl disulphide

Conditions
ConditionsYield
With sodium carbonate In water; acetonitrile at 80℃; for 3h;87%
764-49-8

allyl thiocyanate

2179-57-9

diallyl disulphide

Conditions
ConditionsYield
With samarium; titanium tetrachloride In tetrahydrofuran at 0℃;82%
23973-51-5

S-allyl ethanethioate

2179-57-9

diallyl disulphide

Conditions
ConditionsYield
Stage #1: S-allyl ethanethioate With hydrogenchloride; water In methanol at 50℃;
Stage #2: With iodine In methanol; water at 0℃; for 0.75h;
82%
592-88-1

diallyl sulphide

2179-57-9

diallyl disulphide

Conditions
ConditionsYield
With hydrogen sulfide; dimethyl sulfoxide at 50℃; for 3h;76.3%
127699-25-6

Diallyl selenide

A

2179-57-9

diallyl disulphide

B

592-88-1

diallyl sulphide

Conditions
ConditionsYield
With hydrogen sulfide In dimethyl sulfoxide at 40℃; for 3h;A 11%
B 50.8%
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Chemistry

Molecular Structure of Allyl disulfide (CAS NO.2179-57-9):

IUPAC Name: 3-(Prop-2-enyldisulfanyl)prop-1-ene 
Molecular Formula: C6H10S2
Molecular Weight: 146.26
XLogP3-AA: 2.2 
EINECS: 218-548-6
FEMA: 2028 
storage temp.: 2-8 °C
Index of Refraction: 1.534
Molar Refractivity: 45.29 cm3
Molar Volume: 145.7 cm3
Surface Tension: 33.3 dyne/cm
Density: 1.003 g/cm3
Flash Point: 42.4 °C
Enthalpy of Vaporization: 40.4 kJ/mol
Boiling Point: 185 °C at 760 mmHg
Vapour Pressure: 0.976 mmHg at 25 °C
Product Categories: sulfide Flavor
Appearance: clear yellow liquid
Classification Code: Anticarcinogenic agents; Antihypertensive agents; Antimutagenic agents; Antineoplastic agents; Antispermatogenic Agents; Cardiovascular Agents; Contraceptive Agents; Contraceptive Agents, Female; Mutation data; Noxae; Protective Agents; Reproductive Control Agents; Spermatocidal agents

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 3600mg/kg (3600mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 297, 1988.
rat LD50 oral 260mg/kg (260mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 297, 1988.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Safety Information of Allyl disulfide (CAS NO.2179-57-9):
Hazard Codes: HarmfulXn,IrritantXi
Risk Statements: 22-36/37/38-10 
R10:Flammable. 
R22:Harmful if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-37/39-16-36 
S16:Keep away from sources of ignition. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S37/39:Wear suitable gloves and eye/face protection.
RIDADR: UN 2810 6.1/PG 3
WGK Germany: 3
RTECS: BB1000000
F: 13
HazardClass: 6.1
PackingGroup: II
Poison by ingestion. Moderately toxic by skin contact. When heated to decomposition it emits toxic vapors of SOx.

Specification

 Allyl disulfide (CAS NO.2179-57-9), its Synonyms are 2-Propenyl disulfide ; 2-Propenyl disulphide ; 4,5-Dithia-1,7-octadiene ; Di(2-propenyl) disulfide ; Diallyl disulfide ; Diallyl disulphide ; Disulfide, di-2-propenyl ;  Disulfide, di-2-propen-1-yl .