Diallyl trisulfide supplier

Name
Diallyl trisulfide
EINECS 218-107-8
CAS No. 2050-87-5
Article Data15
CAS DataBase
Density 1.116 g/cm³
Solubility
Melting Point
Formula C₆H₁₀S₃
Boiling Point 229.5 °C at 760 mmHg
Molecular Weight 178.343
Flash Point 87.8 °C
Transport Information UN 2810
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Allyltrisulfide (6CI,7CI,8CI);Trisulfide, di-2-propenyl (9CI);Allitride;Allitridin;Allitridum;Di(2-propenyl) trisulfide;NSC651936;
PSA 75.90000
LogP 3.38800

Synthetic route

: 106-95-6
allyl bromide

: 2050-87-5
diallyl trisulfide

Conditions

Conditions	Yield
Stage #1: allyl bromide With Sodium thiosulfate pentahydrate In ethanol; water at 20℃; Stage #2: With sodium sulfide nonahydrate In water at 0 - 20℃; for 5h;	50%

: 107-05-1
3-chloroprop-1-ene

A: 2050-87-5
diallyl trisulfide

B: 2444-49-7
diallyl tetrasulfide

Conditions

Conditions	Yield
With sulfur; potassium hydroxide; water In tetrahydrofuran for 2h; Ambient temperature;	A 30% B 10%

: 107-05-1
3-chloroprop-1-ene

: 2050-87-5
diallyl trisulfide

Conditions

Conditions	Yield
(i) Na2S2O3*5H2O, aq. EtOH, (ii) Na2S; Multistep reaction;

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

: C3H5ClS2

: 2050-87-5
diallyl trisulfide

Conditions

Conditions	Yield
With pyridine In diethyl ether for 0.5h; Yield given;

: 2179-57-9
diallyl disulphide

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

B: 592-88-1
diallyl sulphide

C: 2050-87-5
diallyl trisulfide

D: 2444-49-7
diallyl tetrasulfide

Conditions

Conditions	Yield
at 50℃; for 168h; Further byproducts given;	A 0.7 % Chromat. B 3 % Chromat. C 9.7 % Chromat. D 0.47 % Chromat.

...Expand

: 2179-57-9
diallyl disulphide

A: 592-88-1
diallyl sulphide

B: 2050-87-5
diallyl trisulfide

C: 2444-49-7
diallyl tetrasulfide

D: 820-30-4
5-methyl-4,7-dithiadeca-1,9-diene

Conditions

Conditions	Yield
at 80℃; for 240h; Further byproducts given;	A 20 % Chromat. B 18 % Chromat. C 5.5 % Chromat. D 0.45 % Chromat.

...Expand

: 2179-57-9
diallyl disulphide

A: 592-88-1
diallyl sulphide

B: 2050-87-5
diallyl trisulfide

C: 2444-49-7
diallyl tetrasulfide

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

Conditions

Conditions	Yield
at 50℃; for 168h; Further byproducts given;	A 3 % Chromat. B 9.7 % Chromat. C 0.47 % Chromat. D 0.3 % Chromat.

...Expand

: 2179-57-9
diallyl disulphide

A: 592-88-1
diallyl sulphide

B: 2050-87-5
diallyl trisulfide

C: 2444-49-7
diallyl tetrasulfide

D: 4-methyl-1,2,3-trithiolane

Conditions

Conditions	Yield
at 80℃; for 240h; Further byproducts given;	A 20 % Chromat. B 18 % Chromat. C 5.5 % Chromat. D 0.68 % Chromat.

...Expand

: 2179-57-9
diallyl disulphide

A: 592-88-1
diallyl sulphide

B: 2050-87-5
diallyl trisulfide

C: 2444-49-7
diallyl tetrasulfide

D: 5-methyl-1,2,3,4-tetrathiane

Conditions

Conditions	Yield
at 80℃; for 240h; Further byproducts given;	A 20 % Chromat. B 18 % Chromat. C 5.5 % Chromat. D 0.42 % Chromat.

...Expand

: 2179-57-9
diallyl disulphide

A: 592-88-1
diallyl sulphide

B: 2050-87-5
diallyl trisulfide

C: 2444-49-7
diallyl tetrasulfide

D: 7-methyl-4,5,8-trithiaundeca-1,10-diene

Conditions

Conditions	Yield
at 80℃; for 240h; Further byproducts given;	A 20 % Chromat. B 18 % Chromat. C 5.5 % Chromat. D 0.86 % Chromat.

...Expand

: 2179-57-9
diallyl disulphide

A: 592-88-1
diallyl sulphide

B: 2050-87-5
diallyl trisulfide

C: 2444-49-7
diallyl tetrasulfide

D: 7-methyl-4,5,6,9,10-pentathiatrideca-1,12-diene

Conditions

Conditions	Yield
at 80℃; for 240h; Yield given. Further byproducts given;	A 20 % Chromat. B 18 % Chromat. C 5.5 % Chromat. D n/a

...Expand

: 2179-57-9
diallyl disulphide

A: 592-88-1
diallyl sulphide

B: 2050-87-5
diallyl trisulfide

C: 2444-49-7
diallyl tetrasulfide

D: 8-methyl-4,5,6,9,10-pentathiatrideca-1,12-diene

Conditions

Conditions	Yield
at 80℃; for 240h; Yield given. Further byproducts given;	A 20 % Chromat. B 18 % Chromat. C 5.5 % Chromat. D n/a

...Expand

: 2179-57-9
diallyl disulphide

A: 592-88-1
diallyl sulphide

B: 2050-87-5
diallyl trisulfide

C: 2444-49-7
diallyl tetrasulfide

D: 2-(2',3'-dithia-5'-hexenyl)-3,4-dihydro-2H-thiopyran

Conditions

Conditions	Yield
at 80℃; for 240h; Further byproducts given;	A 20 % Chromat. B 18 % Chromat. C 5.5 % Chromat. D 2.3 % Chromat.

...Expand

: 2179-57-9
diallyl disulphide

A: 592-88-1
diallyl sulphide

B: 2050-87-5
diallyl trisulfide

C: 2444-49-7
diallyl tetrasulfide

D: 2-(2'-<3',4'-dihydro-2H-thiopyranyl>)-4H-<1,3>-dithiin

Conditions

Conditions	Yield
at 80℃; for 240h; Further byproducts given;	A 20 % Chromat. B 18 % Chromat. C 5.5 % Chromat. D 0.2 % Chromat.

...Expand

: 2179-57-9
diallyl disulphide

A: 592-88-1
diallyl sulphide

B: 2050-87-5
diallyl trisulfide

C: 2444-49-7
diallyl tetrasulfide

D: 2-(2',3',4'-trithia-6'-heptenyl)-3,4-dihydro-2H-thiopyran

Conditions

Conditions	Yield
at 80℃; for 240h; Further byproducts given;	A 20 % Chromat. B 18 % Chromat. C 5.5 % Chromat. D 0.7 % Chromat.

...Expand

: 2179-57-9
diallyl disulphide

A: 592-88-1
diallyl sulphide

B: 2050-87-5
diallyl trisulfide

C: 2444-49-7
diallyl tetrasulfide

D: 3-(2',3',4'-trithia-6'-heptenyl)-3,4-dihydro-2H-thiopyran

Conditions

Conditions	Yield
at 80℃; for 240h; Further byproducts given;	A 20 % Chromat. B 18 % Chromat. C 5.5 % Chromat. D 0.25 % Chromat.

...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

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

: 18156-74-6
1-(Trimethylsilyl)imidazole

: 2050-87-5
diallyl trisulfide

Conditions

Conditions	Yield
With sulfur dichloride 1.) 30 min, hexane, rt.; 2.) 30 min, hexane, 0 deg C; Yield given. Multistep reaction;

: 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

: copper(II) chloride dihydrate

: tin(II)chloride dihydrate

: 106-95-6
allyl bromide

: 2050-87-5
diallyl trisulfide

Conditions

Conditions	Yield
With ammonium fluoride In dimethylsulfoxide-tetrahydrofuran
With ammonium fluoride In dimethylsulfoxide-tetrahydrofuran

...Expand

: 107-05-1
3-chloroprop-1-ene

A: 2179-57-9
diallyl disulphide

B: 592-88-1
diallyl sulphide

C: 2050-87-5
diallyl trisulfide

Conditions

Conditions	Yield
Stage #1: With sodium sulfide; sodium hydroxide; sulfur; polyethylene glycol In water at 45℃; under 3345.86 Torr; Stage #2: 3-chloroprop-1-ene In water at 20 - 45℃; under 1277.21 - 1380.65 Torr; Product distribution / selectivity; continuous process;

...Expand

: 107-05-1
3-chloroprop-1-ene

A: 2179-57-9
diallyl disulphide

B: 592-88-1
diallyl sulphide

C: 2050-87-5
diallyl trisulfide

D: 2444-49-7
diallyl tetrasulfide

Conditions

Conditions	Yield
Stage #1: With sodium sulfide; sodium hydroxide; sulfur; polyethylene glycol In water at 45 - 60℃; under 1173.78 Torr; Stage #2: 3-chloroprop-1-ene In water at 45 - 50℃; under 915.2 - 4897.34 Torr; Product distribution / selectivity; continuous process;
Stage #1: With sodium sulfide; sodium hydroxide; sulfur In water at 45 - 60℃; under 1173.78 Torr; Stage #2: 3-chloroprop-1-ene In water at 45 - 50℃; under 915.2 - 4897.34 Torr; Product distribution / selectivity; continuous process;

...Expand

: 539-86-6
allicin

A: 2179-57-9
diallyl disulphide

B: 592-88-1
diallyl sulphide

C: 2050-87-5
diallyl trisulfide

D: 2444-49-7
diallyl tetrasulfide

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

Conditions

Conditions	Yield
With sulfur; dibutylamine at 60 - 70℃; for 1h; Product distribution / selectivity;

...Expand

: 539-86-6
allicin

A: 2179-57-9
diallyl disulphide

B: 2050-87-5
diallyl trisulfide

C: 2444-49-7
diallyl tetrasulfide

Conditions

Conditions	Yield
at 60 - 70℃; for 1h; Product distribution / selectivity;

...Expand

: 539-86-6
allicin

A: 2179-57-9
diallyl disulphide

B: 2050-87-5
diallyl trisulfide

C: 2444-49-7
diallyl tetrasulfide

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

Conditions

Conditions	Yield
at 70℃; for 1h; Product distribution / selectivity;
With sulfur at 60 - 70℃; for 1h; Product distribution / selectivity;

...Expand

: 539-86-6
allicin

A: 2179-57-9
diallyl disulphide

B: 2050-87-5
diallyl trisulfide

C: 2444-49-7
diallyl tetrasulfide

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

E: 137443-18-6
diallyl hexasulfide

Conditions

Conditions	Yield
With sulfur at 60 - 70℃; for 1h; Product distribution / selectivity;

...Expand

: 539-86-6
allicin

A: 2179-57-9
diallyl disulphide

B: 2050-87-5
diallyl trisulfide

C: 2444-49-7
diallyl tetrasulfide

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

E: 137443-18-6
diallyl hexasulfide

F: 139693-24-6
diallyl heptasulfide

Conditions

Conditions	Yield
With sulfur at 70℃; for 1h; Product distribution / selectivity;

...Expand

: 539-86-6
allicin

A: 2050-87-5
diallyl trisulfide

B: 2444-49-7
diallyl tetrasulfide

Conditions

Conditions	Yield
at 70℃; for 1h; Product distribution / selectivity;

: 2050-87-5
diallyl trisulfide

: 2396-68-1
4-t-butylbenzenethiol

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

Conditions

Conditions	Yield
With triethylamine In methanol at 40℃; for 24h;	29%

: 2179-57-9
diallyl disulphide

: 2050-87-5
diallyl trisulfide

A: 7-methyl-4,5,6,9,10-pentathiatrideca-1,12-diene

B: 8-methyl-4,5,6,9,10-pentathiatrideca-1,12-diene

C: 2-(2',3',4'-trithia-6'-heptenyl)-3,4-dihydro-2H-thiopyran

D: 3-(2',3',4'-trithia-6'-heptenyl)-3,4-dihydro-2H-thiopyran

Conditions

Conditions	Yield
at 150℃; for 0.0833333h; Product distribution; Mechanism; copyrolysis;

...Expand

: 2050-87-5
diallyl trisulfide

zinc: zinc

: 592-88-1
diallyl sulphide

Diallyl trisulfide Chemical Properties

Molecular Structure of Diallyl trisulfide (CAS NO.2050-87-5):

IUPAC Name: 3-(Prop-2-enyltrisulfanyl)prop-1-ene
Molecular Formula: C₆H₁₀S₃
Molecular Weight: 178.34
EINECS: 218-107-8
FEMA: 3265
Index of Refraction: 1.581
Molar Refractivity: 53.28 cm³
Molar Volume: 159.6 cm³
Surface Tension: 39.7 dyne/cm
Density: 1.116 g/cm³
Flash Point: 87.8 °C
Enthalpy of Vaporization: 44.71 kJ/mol
Boiling Point: 229.5 °C at 760 mmHg
Vapour Pressure: 0.105 mmHg at 25 °C
Product Categories: sulfide Flavor
Canonical SMILES: C=CCSSSCC=C
InChI: InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-6H2
InChIKey: UBAXRAHSPKWNCX-UHFFFAOYSA-N
Classification Code: Anti-Infective Agents; Antifungal agents; Antilipemic agents; Antimetabolites; Antioxidants; Antiparasitic Agents; Antiprotozoal agents; Antispermatogenic Agents; Contraceptive Agents; Contraceptive Agents, Female; Hematologic Agents; Insecticides; Noxae; Pesticides; Platelet aggregation inhibitors; Protective Agents; Reproductive Control Agents; Spermatocidal agents

Diallyl trisulfide Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	100mg/kg (100mg/kg)		Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

Diallyl trisulfide Safety Profile

Safety Information of Diallyl trisulfide (CAS NO.2050-87-5):
RIDADR: 2810
HazardClass: 6.1(b)
PackingGroup: III

Diallyl trisulfide Specification

Diallyl trisulfide (CAS NO.2050-87-5), its Synonyms are Di-2-propenyl trisulfide ; Trisulfide, di-2-propenyl ; Diallyl trisulphide ; Trisulfide, di-2-propenyl (9CI) ; Allyl trisulfide .

Product Name

Diallyl trisulfide

Synthetic route

Diallyl trisulfide Chemical Properties

Diallyl trisulfide Toxicity Data With Reference

Diallyl trisulfide Safety Profile

Diallyl trisulfide Specification

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