Diallyldisulfide supplier | CasNO.2179-57-9

Name
Diallyldisulfide
EINECS 218-548-6
CAS No. 2179-57-9
Article Data76
CAS DataBase
Density 1.003 g/cm³
Solubility Insoluble in water
Melting Point
Formula C₆H₁₀S₂
Boiling Point 185 °C at 760 mmHg
Molecular Weight 146.277
Flash Point 42.4 °C
Transport Information UN 2810 6.1/PG 3
Appearance clear yellow liquid
Safety 26-36/37/39-37/39-16-36
Risk Codes 22-36/37/38-10
Molecular Structure
Hazard Symbols Xn,Xi
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;
PSA 50.60000
LogP 2.73980

Synthetic route

: 870-23-5
prop-2-ene-1-thiol

: 2179-57-9
diallyl disulphide

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With sodium carbonate In water; acetonitrile at 80℃; for 3h;	87%

: 764-49-8
allyl thiocyanate

: 2179-57-9
diallyl disulphide

Conditions

Conditions	Yield
With samarium; titanium tetrachloride In tetrahydrofuran at 0℃;	82%

: 23973-51-5
S-allyl ethanethioate

: 2179-57-9
diallyl disulphide

Conditions

Conditions	Yield
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

Conditions	Yield
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

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

: 50463-17-7
2-(allylthio)benzo[d]oxazole

: 67-66-3
chloroform

A: 273-53-0
benzoxazole

B: 2179-57-9
diallyl disulphide

C: 2-(1,1-dichloro-3-butenylthio)benzoxazole

Conditions

Conditions	Yield
With sodium hydroxide; tetrabutylammomium bromide at 45 - 55℃; for 25h; Rearrangement; disproportionation;	A 37% B 21% C n/a

...Expand

: 51389-04-9
2-(allylthio)-1H-benzimidazole

: 67-66-3
chloroform

A: 50463-17-7
2-(allylthio)benzo[d]oxazole

B: 2179-57-9
diallyl disulphide

C: 124530-69-4
1,2-diallyl sulfanyl-1H-benzoimidazole

D: 2-(1,1-dichloro-3-butenylthio)benzimidazole

Conditions

Conditions	Yield
With sodium hydroxide; tetrabutylammomium bromide at 45 - 55℃; for 18h; Rearrangement; substitution; disproportionation; allylation; Further byproducts given;	A 5% B 37% C n/a D n/a

...Expand

: 22388-07-4
2-allylmercapto-1,3-benzothiazole

: 67-66-3
chloroform

A: 95-16-9
1,3-Benzothiazole

B: 2179-57-9
diallyl disulphide

C: 592-88-1
diallyl sulphide

D: 2-(1,1-dichloro-3-butenylthio)benzothiazole

Conditions

Conditions	Yield
With sodium hydroxide; tetrabutylammomium bromide at 45 - 55℃; for 25h; Rearrangement; disproportionation; Further byproducts given;	A 24% B 24% C 15% D n/a

...Expand

: 22388-07-4
2-allylmercapto-1,3-benzothiazole

: 67-66-3
chloroform

A: 95-16-9
1,3-Benzothiazole

B: 2179-57-9
diallyl disulphide

C: 592-88-1
diallyl sulphide

D: 4271-09-4
2,2'-benzothiazolyl

Conditions

Conditions	Yield
With sodium hydroxide; tetrabutylammomium bromide at 45 - 55℃; for 25h; Rearrangement; disproportionation; Further byproducts given;	A 24% B 24% C 15% D 2%

...Expand

: 556-56-9
allyl iodid

: 2179-57-9
diallyl disulphide

Conditions

Conditions	Yield
With diethyl ether; sodium disulfide
With carbon disulfide; potassium hydroxide In dimethyl sulfoxide for 2h;	0.5 g

: 556-56-9
allyl iodid

A: 2179-57-9
diallyl disulphide

B: 118686-45-6
bis-2-propenyl pentasulfide

Conditions

Conditions	Yield
With sodium tetrasulfide; diethyl ether

: diphenyl-μ-disulfido-1,2-dithio-dicarbonimidic acid diallyl ester

A: 2179-57-9
diallyl disulphide

B: 103-72-0
phenyl isothiocyanate

Conditions

Conditions	Yield
at 90 - 95℃;

: 556-56-9
allyl iodid

: Potassium 4,5,6,7-tetrahydroindole-2-carbodithioate

A: 2179-57-9
diallyl disulphide

B: allyl ester of 4,5,6,7-tetrahydro-2-indolyldithiocarboxylic acid

Conditions

Conditions	Yield
In dimethyl sulfoxide for 2h; Yield given. Yields of byproduct given;

...Expand

: 21593-77-1, 49621-03-6
S-allyl cysteine

A: 2179-57-9
diallyl disulphide

B: 539-86-6
allicin

C: 29418-05-1
bis-2-propenyl thiosulfonate

D: 113-24-6
sodium pyruvate

Conditions

Conditions	Yield
With nitrogen(II) oxide In water for 24h; Ambient temperature; Yield given. Yields of byproduct given;

...Expand

: 21593-77-1, 49621-03-6
S-allyl cysteine

A: 2179-57-9
diallyl disulphide

B: 539-86-6
allicin

C: 29418-05-1
bis-2-propenyl thiosulfonate

D: 127-17-3
2-oxo-propionic acid

Conditions

Conditions	Yield
With nitrogen(II) oxide; trifluoroacetic acid In water for 5h; Mechanism; Ambient temperature; other time; also in absence of CF3COOH;

...Expand

: 539-86-6
allicin

A: 62488-53-3
3-vinyl-4H-<1,2>-dithiin

B: 2179-57-9
diallyl disulphide

C: 2050-87-5
diallyl trisulfide

D: 80028-57-5
2‐ethenyl‐4H‐1,3‐dithiine

Conditions

Conditions	Yield
In chloroform-d1 at 25℃; for 144h;	A 0.008 g B 0.03 g C 0.01 g D 0.015 g

...Expand

: 539-86-6
allicin

A: 62488-53-3
3-vinyl-4H-<1,2>-dithiin

B: 2179-57-9
diallyl disulphide

C: 2050-87-5
diallyl trisulfide

D: 80028-57-5
2‐ethenyl‐4H‐1,3‐dithiine

E: 92285-00-2
(Z)-ajoene

F: 92284-99-6
(E)-ajoene

Conditions

Conditions	Yield
at 37℃; for 48h; Product distribution; other temperatures, other times;

...Expand

: 87234-43-3
2-propenyl ethaneimidothiolate hydrobromide

: 2179-57-9
diallyl disulphide

Conditions

Conditions	Yield
With sodium hydroxide

: 100-44-7
benzyl chloride

: 96989-38-7
N-methyl-N-<(2-propenylthio)methylene>methanaminium bromide

A: 2179-57-9
diallyl disulphide

B: 6937-97-9
allyl(benzyl)sulfide

Conditions

Conditions	Yield
With sodium hydroxide In ethanol for 10h;

...Expand

: 105-39-5
chloroacetic acid ethyl ester

: 96989-38-7
N-methyl-N-<(2-propenylthio)methylene>methanaminium bromide

A: 2179-57-9
diallyl disulphide

B: 15224-05-2
ethyl 2-(allylthio)acetate

Conditions

Conditions	Yield
With sodium hydroxide In ethanol for 10h;

...Expand

: 96989-38-7
N-methyl-N-<(2-propenylthio)methylene>methanaminium bromide

: 2179-57-9
diallyl disulphide

Conditions

Conditions	Yield
With sodium hydroxide

: 96989-38-7
N-methyl-N-<(2-propenylthio)methylene>methanaminium bromide

: 70-11-1
α-bromoacetophenone

A: 2179-57-9
diallyl disulphide

B: 64878-08-6
2-(allylthio)-1-phenylethan-1-one

Conditions

Conditions	Yield
With sodium hydroxide In ethanol for 10h;

...Expand

: 106-95-6
allyl bromide

A: 2179-57-9
diallyl disulphide

B: 2050-87-5
diallyl trisulfide

C: 2444-49-7
diallyl tetrasulfide

Conditions

Conditions	Yield
With polysulfide; tetraethylammonium perchlorate In N,N-dimethyl-formamide in situ electrochemical generation of polysulfide from carbon-sulfur cathode; Title compound not separated from byproducts;

...Expand

: 57-06-7
N-allyl isothiocyanate

A: 2179-57-9
diallyl disulphide

B: 592-88-1
diallyl sulphide

C: 764-49-8
allyl thiocyanate

D: 2050-87-5
diallyl trisulfide

E: 6601-20-3
N,N'-diallylthiourea

F: 3H-1,2-dithiole

Conditions

Conditions	Yield
In water at 100℃; for 1h; thermal degradation; var. pH;

...Expand

: 2179-57-9
diallyl disulphide

: 17547-93-2
3,6-dihydro-[1,2]dithiine

Conditions

Conditions	Yield
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride at 90℃;	100%
With bis[1,1-di(trifluoromethyl)ethoxy][(2,6-diisopropylphenyl)imino](2-methyl-2-phenylpropylidene)molybdenum In benzene-d6 at 20℃; for 1h; Product distribution; further catalyst, variation of the reaction time; catalytic ring-closing metathesis of further acyclic dienes;	77 % Spectr.
With bis[1,1-di(trifluoromethyl)ethoxy][(2,6-diisopropylphenyl)imino](2-methyl-2-phenylpropylidene)molybdenum In benzene-d6 at 20℃; for 1h;	77 % Spectr.
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride In dichloromethane-d2 for 4h; Heating;	100 % Spectr.

: 2179-57-9
diallyl disulphide

: 539-86-6
allicin

Conditions

Conditions	Yield
With 3,3-dimethyldioxirane In acetone at -50 - -20℃; for 0.75h; Product distribution / selectivity; Inert atmosphere;	96%
With Peroxyformic acid In methanol at 0℃; for 0.25h; Reagent/catalyst;	92%
With peracetic acid; sodium carbonate In chloroform at 0℃; 1.) 30 min; 2.) 30 min;	90%

: 2179-57-9
diallyl disulphide

: 870-23-5
prop-2-ene-1-thiol

Conditions

Conditions	Yield
With indium; ammonium chloride In ethanol for 1h; Reduction; Heating;	95%
With magnesium In methanol; benzene for 1.66667h; Ambient temperature;	83%

: 2179-57-9
diallyl disulphide

: 107-96-0
3-mercaptopropionic acid

: 805983-04-4
3-(prop-2-en-1-yldisulfanyl)propanoic acid

Conditions

Conditions	Yield
With sodium hydroxide In methanol; diethyl ether at 20℃; for 24h; Inert atmosphere;	92%
With sodium hydroxide In methanol; diethyl ether at 25℃; for 24.5h; Inert atmosphere;	84%
With sodium hydroxide In methanol; diethyl ether at 20℃; for 24h; Inert atmosphere;	63%
With sodium hydroxide In methanol; diethyl ether; water at 20℃; for 24h;	28%
With sodium hydroxide at 20℃; for 24h; Reflux; Inert atmosphere;

: 2179-57-9
diallyl disulphide

: 106-95-6
allyl bromide

: allyl(4-(tert-butyl)phenyl)sulfane

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 20℃; for 0.5h;	89%

: 2487-90-3
trimethoxysilane

: 2179-57-9
diallyl disulphide

: 35112-74-4
bis-(3-trimethoxysilylpropyl)-disulphide

Conditions

Conditions	Yield
With bis(1,5-cyclooctadiene)diiridium(I) dichloride; cyclo-octa-1,5-diene In dichloromethane-d2 at 20℃; for 6h; Reagent/catalyst;	89%

: 2179-57-9
diallyl disulphide

: 32264-50-9
1,1-dibromo-2,2-dimethylcyclopropane

: 79306-32-4
1-bromo-2,2-dimethylcyclopropyl allyl sulfide

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran; diethyl ether 2 h, < -95 deg C, 1.5 h;	78%

: 2179-57-9
diallyl disulphide

: 4559-70-0
Diphenylphosphine oxide

: S-allyl diphenylphosphinothioate

Conditions

Conditions	Yield
In tetrahydrofuran at 80℃; for 4h; Inert atmosphere; Sealed tube;	78%

: 923035-87-4
1-vinyl-3,4,5-tribromo-1H-pyrazole

: 2179-57-9
diallyl disulphide

: 5-allylthio-3,4-dibromo-1-vinylpyrazole

Conditions

Conditions	Yield
Stage #1: 1-vinyl-3,4,5-tribromo-1H-pyrazole With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.0333333h; Stage #2: diallyl disulphide In tetrahydrofuran; hexane at -78 - 20℃; for 2h;	77%

: 2179-57-9
diallyl disulphide

: 2396-68-1
4-t-butylbenzenethiol

A: allyl(4-(tert-butyl)phenyl)sulfane

B: 7605-48-3
bis(4-tert-butylphenyl)disulfide

C: C13H18S2

Conditions

Conditions	Yield
With triethylamine In methanol at 40℃;	A n/a B 20% C 75%

...Expand

: 2179-57-9
diallyl disulphide

: 1074-36-8
4-mercaptobenzoic acid

: 1166842-03-0
allyl (4-carboxyphenyl)disulfide

Conditions

Conditions	Yield
With triethylamine at 60℃; for 8h; pH=4;	74.3%

: 2179-57-9
diallyl disulphide

: 2396-68-1
4-t-butylbenzenethiol

A: 7605-48-3
bis(4-tert-butylphenyl)disulfide

B: C13H18S2

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 40℃;	A 71% B 29%

...Expand

: 2179-57-9
diallyl disulphide

: 369-57-3
benzenediazonium tetrafluoroborate

: 5296-64-0
allyl phenyl thioether

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 25℃; for 30h; Inert atmosphere; Green chemistry;	71%

: 2179-57-9
diallyl disulphide

: 5775-76-8, 5780-42-7, 628-79-5
valeraldoxime

: disulfide of 3-butyl-5-mercaptomethylisoxazoline

Conditions

Conditions	Yield
With N-chloro-succinimide; triethylamine	68%

: 2179-57-9
diallyl disulphide

: 2396-68-1
4-t-butylbenzenethiol

: allyl(4-(tert-butyl)phenyl)sulfane

Conditions

Conditions	Yield
With triethylamine In methanol at 40℃; for 24h; Time;	68%

: 2179-57-9
diallyl disulphide

: 513-38-2
Isobutyl iodide

: 108140-96-1, 108140-97-2
(E)-3-Allylsulfanyl-1-isobutylsulfanyl-propene

Conditions

Conditions	Yield
With potassium hydroxide In dimethyl sulfoxide at 40℃; for 2h;	65.6%

: 15115-52-3
4-bromo-1-phenyl-1H-pyrazole

: 2179-57-9
diallyl disulphide

: C12H12N2S

Conditions

Conditions	Yield
Stage #1: 4-bromo-1-phenyl-1H-pyrazole With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.75h; Stage #2: diallyl disulphide In tetrahydrofuran at 0 - 20℃;	65%

: 542-69-8
1-iodo-butane

: 2179-57-9
diallyl disulphide

: 169132-70-1
1-((E)-3-Allylsulfanyl-propenylsulfanyl)-butane

Conditions

Conditions	Yield
With potassium hydroxide In dimethyl sulfoxide at 40℃; for 2h;	61.2%

1.0 M-tetrahydrofuran: 1.0 M-tetrahydrofuran

: 2179-57-9
diallyl disulphide

: 1826-67-1
vinyl magnesium bromide

: 2,5-bis(3-mercaptopropyl)-1,4-dithian

Conditions

Conditions	Yield
With bromine In tetrahydrofuran; dichloromethane; benzene	61%

...Expand

: 2179-57-9
diallyl disulphide

: 1074-36-8
4-mercaptobenzoic acid

: 16195-39-4
4-(allylthio)benzoic acid

Conditions

Conditions	Yield
With triethylamine In methanol at 40℃; for 24h; Solvent;	61%

: 9-(1'-β-D-ribofuranosyl)-8-ethyl-6-nitro-1,3-dideazaadenine

: 2179-57-9
diallyl disulphide

: 5'-allylthio-5'-deoxy-9-(1'-β-D-ribofuranosyl)-8-ethyl-6-nitro-1,3-dideazaadenine

Conditions

Conditions	Yield
With pyridine; triphenylphosphine at 20℃; for 24h;	58%

Diallyldisulfide Chemical Properties

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

Diallyldisulfide 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.

Diallyldisulfide Consensus Reports

Reported in EPA TSCA Inventory.

Diallyldisulfide Safety Profile

Safety Information of Allyl disulfide (CAS NO.2179-57-9):
Hazard Codes: Harmful Xn, Irritant Xi
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 SO_x.

Diallyldisulfide 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 .

Product Name

Diallyldisulfide

Synthetic route

Diallyldisulfide Chemical Properties

Diallyldisulfide Toxicity Data With Reference

Diallyldisulfide Consensus Reports

Diallyldisulfide Safety Profile

Diallyldisulfide Specification

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