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Diallyl disulfide

Diallyl disulfide structure

CAS No:
2179-57-9
Formula:
C6H10S2
Chemical Name:
Diallyl disulfide
Synonyms:
Disulfide,di-2-propen-1-yl;Allyl disulfide;Disulfide,di-2-propenyl;Di-2-propen-1-yl disulfide;Diallyl disulfide;Diallyl disulphide;4,5-Dithia-1,7-octadiene;Garlicin;Di(2-propenyl) disulfide;Bis(2-propenyl) disulfide;Dipropenyl disulfide;NSC 29228;1,2-Diallyldisulfane
Categories:
Cosmetic Ingredient > Perfuming

Description

CLEAR YELLOW LIQUID Allyl disulfide has a characteristic garlic odor. It is used as a flavor enhancer, flavoring agent or adjuvant

pale yellow liquid with odour of garlic; lacrymator|Garlic odor.

Diallyl disulfide is an organic disulfide where the organic group specified is allyl. It has been isolated from garlic and other species of the genus Allium. It has a role as an antineoplastic agent, an antifungal agent and a plant metabolite.

Diallyl disulfide Basic Attributes

Molecular Weight：

146.27

Exact Mass：

146.27

BRN：

1699241

EC Number：

218-548-6

UNII：

5HI47O6OA7

NSC Number：

29228

DSSTox ID：

DTXSID9035206

Color/Form：

LIQUID

HScode：

29309090

Characteristics

PSA：

50.6

XLogP3：

2.2

Appearance：

colorless to yellow

Density：

1.010 g/cm³ @ Temp: 15 °C

Boiling Point：

79 °C @ Press: 16 Torr

Flash Point：

144 °F

Refractive Index：

1.534

Water Solubility：

INSOL IN WATER; SOL IN MOST COMMON ORG SOLVENTS

Storage Conditions：

2-8°C

Vapor Pressure：

1 mm Hg ( 20 °C)

Vapor Density：

>5 (vs air)

Toxicity：

Oral-rat LD50: 260mg/kg

Flammability characteristics：

Flammable; burning produces toxic sulfur oxide fumes

Odor：

GARLIC ODOR

Taste：

SHARP, GARLIC FLAVOR

Safety Information

Packing level：

Ⅲ

Hazard category：

6.1

Transport codes：

UN 2810 6.1/PG 3

wgk germany：

hazard class code：

22-36/37/38-10

safety instructions：

26-36/37/39-37/39-16-36

RTECS Number：

BB1000000

Marks：

Xn,Xi

Storage features：

Treasury is ventilated, low temperature and dry; stored separately from food materials

Stability/Shelf Life：

FAIR STABILITY

Precautionary statement(s)：

Missing Phrase - N15.00950417-P305 + P351 + P338

Hazard Statements：

H301-H315-H319-H335

FDA Requirements：

121.1164. /FROM TABLE/

GHS Classification：

|Danger|H226 (97.44%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P272, P280, P301+P310, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P370+P378, P403+P235, P405, and P501|Aggregated GHS information provided by 1600 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

highly toxic

Human Exposure：

THE MAXIMUM CONCN OF VAPOR IN AIR ADVISED FOR INDUSTRIAL CONDITIONS IS 2 TO 3 PPM.

Drug Information

MeSH：

Chemical substances that are destructive to spermatozoa used as topically administered vaginal contraceptives. (See all compounds classified as Spermatocidal Agents.)|Agents that reduce the frequency or rate of spontaneous or induced tumors independently of the mechanism involved. (See all compounds classified as Anticarcinogenic Agents.)|Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS. (See all compounds classified as Antihypertensive Agents.)|Agents that reduce the frequency or rate of spontaneous or induced mutations independently of the mechanism involved. (See all compounds classified as Antimutagenic Agents.)|Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)

Metabolism/Metabolites：

Diallyl disulfide has known human metabolites that include (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-[(E)-3-(prop-2-enyldisulfanyl)prop-1-enyl]sulfanylpropan-2-yl]amino]-5-oxopentanoic acid and DADSO.

Human Toxicity Excerpts：

ALLYL PROPYL DISULFIDE, ALONG WITH DIALLYL DISULFIDE, IS SAID TO BE ONE OF THE PRINCIPAL VOLATILE SUBSTANCES IN ONION WHICH IRRITATE EYES & CAUSE LACRIMATION.

MeSH Entry Terms：

allitin

Diallyl disulfide Use and Manufacturing

Methods of Manufacturing

It is derived from the oxidation of allyl mercaptan and iodine in the presence of ethanol and pyridine.

Uses

Diallyl Disulphide has a range of uses varying from a Cytocrome P450 inhibitor to vasorelaxant and hypotensive. Being in the class of organosulfur compounds, it carries chemopreventive characteristics.

Manufacturing Info：

Disulfide, di-2-propen-1-yl: ACTIVE|IN CONDIMENTS 6.5 PPM; MEATS 7.0 PPM.|GARLIC SYNTHETIC FLAVORING. /FROM TABLE/|SULFUR VOLATILE IN GARLIC; ONION; CHIVES & LEEK; FRESH CABBAGE. /FROM TABLE/|MAIN CONSTITUENT OF ALLIUM SATIVUM ESSENTIAL OIL.|FEMA NUMBER 2028 /FROM TABLE/

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:146.3
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:146.02239267
Monoisotopic Mass:146.02239267
Topological Polar Surface Area:50.6
Heavy Atom Count:8
Complexity:58.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Allyl chloride

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Guide of Diallyl disulfide

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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Diallyl disulfide

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