CAS No.592-88-1,Diallyl sulfide Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	592-88-1
Name:	Diallyl sulfide
Article Data:	52
Cas Database

Formula:	C₆H₁₀S
Molecular Weight:	114.211
Synonyms:	Allylsulfide (6CI,7CI,8CI);Allyl monosulfide;Bis(2-propenyl) sulfide;Di(2-propenyl) sulfide;Diallyl monosulfide;Diallylthioether;NSC 20947;Oil garlic;Thioallyl ether;Allyl sulfide;
EINECS:	209-775-1
Density:	0.866 g/cm³
Melting Point:	-83 °C
Boiling Point:	141.5 °C at 760 mmHg
Flash Point:	46.1 °C
Solubility:	Soluble in alcohol, chloroform, ether, and carbon tetrachloride. Insoluble in water.
Appearance:	clear colorless liquid
Hazard Symbols:	Xi
Risk Codes:	10-36/37/38
Safety:	26-36-37/39-23-16
Transport Information:	UN 1993 3/PG 3
PSA:	25.30000
LogP:	2.09160

Synthetic route

: 14180-63-3
diallyl sulfoxide

: 592-88-1
diallyl sulphide

Conditions

Conditions	Yield
With trifluoromethylsulfonic anhydride; potassium iodide In acetonitrile at 20℃; for 0.0833333h;	95%
With 2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine; potassium iodide for 0.0333333h; Neat (no solvent); chemoselective reaction;	93%
With iodine; sodium hydrogensulfite In chloroform at 50℃; for 3h; Temperature;	90%
With Silphos; iodine In acetonitrile for 0.25h; Heating;	89%
With sodium iodide at 20℃; for 1h; Green chemistry;	87%

: 556-56-9
allyl iodid

: 592-88-1
diallyl sulphide

Conditions

Conditions	Yield
With hexamethyldisilathiane at 150 - 160℃; for 7h;	84%
With potassium sulfide

: 75-66-1
2-methylpropan-2-thiol

: 106-95-6
allyl bromide

A: 37850-75-2
allyl tert-butyl sulfide

B: 592-88-1
diallyl sulphide

Conditions

Conditions	Yield
With sodium methylate In methanol 0 deg C, 1 h; 25 deg C, overnight; Yields of byproduct given. Title compound not separated from byproducts;	A 66% B n/a

...Expand

: 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%

: 1309645-82-6
bis[2-chloro-3-(trimethylsilyl)-propyl]sulfide

: 592-88-1
diallyl sulphide

Conditions

Conditions	Yield
With potassium tert-butylate In methanol at 20℃; for 7h;	47%

: 6329-40-4
Dithiocarbonic acid S-allyl ester O-benzyl ester

A: 592-88-1
diallyl sulphide

B: 538-74-9
dibenzyl sulfide

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

Conditions

Conditions	Yield
With 1,2-bis-(diphenylphosphino)ethane; tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran at 65℃; for 7h;	A n/a B n/a C 32%

...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

: 2179-57-9
diallyl disulphide

: 74-86-2
acetylene

A: 592-88-1
diallyl sulphide

B: 105278-48-6
Vinyl propen-1-yl sulfide

C: 104324-36-9
(E)-allyl(prop-1-en-1-yl)sulfane

D: 123351-73-5, 123351-76-8
1-vinylthio-3-(1-propenylthio)-1-propene

Conditions

Conditions	Yield
With potassium hydroxide; hydroquinone In water; dimethyl sulfoxide at 40 - 45℃; under 9880 - 15200 Torr; for 4h; Further byproducts given;	A 0.7% B 17.8% C 1.4% D 19.6%

...Expand

: 6704-15-0
β,β'-dihydroxydipropyl sulfide

: 592-88-1
diallyl sulphide

Conditions

Conditions	Yield
With potassium hydroxide at 200℃;

Raw Materials

14180-63-3

75-66-1

6329-40-4

57-06-7

22388-07-4

106-95-6

74-86-2

463-49-0

Downstream Products

78-10-4

768-56-9

870-23-5

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Chemistry

Molecular Structure of Allyl sulfide (CAS NO.592-88-1):

IUPAC Name: 3-Prop-2-enylsulfanylprop-1-ene
Molecular Formula: C₆H₁₀S
Molecular Weight: 114.20
EINECS: 209-775-1
FEMA: 2042
storage temp.: 2-8 °C
Melting Point: -83 °C
Index of Refraction: 1.478
Molar Refractivity: 37.29 cm³
Molar Volume: 131.7 cm³
Surface Tension: 26.7 dyne/cm
Density: 0.866 g/cm³
Flash Point: 46.1 °C
Enthalpy of Vaporization: 36.31 kJ/mol
Boiling Point: 141.5 °C at 760 mmHg
Vapour Pressure: 7.3 mmHg at 25 °C
Water Solubility: 621 mg/L at 25 °C
Product Categories: sulfide Flavor
Appearance: clear colorless liquid
Canonical SMILES: C=CCSCC=C
InChI: InChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2
InChIKey: UBJVUCKUDDKUJF-UHFFFAOYSA-N
Classification Code: Anticarcinogenic agents; Antineoplastic agents; Antioxidants; Mutation data; Protective Agents

Uses

Allyl sulfide (CAS NO.592-88-1) is mianly used in the production of flavors.

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LD50	skin	> 5gm/kg (5000mg/kg)		Food and Chemical Toxicology. Vol. 26, Pg. 299, 1988.
rabbit	LDLo	intravenous	330mg/kg (330mg/kg)	BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Biochemical Journal. Vol. 4, Pg. 107, 1909.
rat	LD50	oral	2980mg/kg (2980mg/kg)		Food and Chemical Toxicology. Vol. 26, Pg. 299, 1988.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intravenous route. Moderately toxic by ingestion. An irritant to skin, eyes, and mucous membranes. When heated to decomposition it emits toxic SO_x. Explosive reaction with N-bromosuccinimide.
Safety Information of Allyl sulfide (CAS NO.592-88-1):
Hazard Codes: Xi
Risk Statements: 10-36/37/38
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39-23-16
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37/39:Wear suitable gloves and eye/face protection.
S16:Keep away from sources of ignition.
S23:Do not breathe vapour.
RIDADR: UN 1993 3/PG 3
WGK Germany: 2
RTECS: BC4900000
HazardClass: 3
PackingGroup: III

Specification

Allyl sulfide (CAS NO.592-88-1), its Synonyms are 2-Propenyl sulphide ; 3,3-Thiobis(1-propene) ; Allyl monosulfide ; Diallyl monosulfide ; Diallyl sulfide ; Diallyl thioether ; Oil garlic ; Thioallyl ether ; 1-Propene, 3,3'-thiobis- .