ChemicalBook CAS DataBase List 2179-57-9

2179-57-9

Name	Diallyldisulfide
CAS	2179-57-9
EINECS(EC#)	218-548-6
Molecular Formula	C6H10S2
MDL Number	MFCD00008656
Molecular Weight	146.27
MOL File	2179-57-9.mol

Synonyms

2-PROPENYL DISULPHIDE ALLYL DISULFIDE ALLYL DISULPHIDE Di-2-propenyl disulfide DIALLYL DISULFIDE DIALLYL DISULPHIDE FEMA 2028 s-allyl acrylo-1-sulphinothioate 3-(Allyldisulfanyl)-1-propene 4,5-Dithia-1,7-octadiene dialkyldisulfide Disulfide, di-2-propenyl Disulfide,di-2-propenyl DADS Diallyldisulfide, remainder mainly diallyl sulfide ALLYL DISULFIDE 80+% ALLYL DISULFIDE, TECH., 80% DIALLYL DISULPHIDE 90%(GC) DIALLYLDISULFIDE,TECHNICAL Dially disulfide

Chemical Properties

Appearance	CLEAR YELLOW LIQUID
Boiling point	180-195 °C(lit.)
density	1.008 g/mL at 25 °C(lit.)
vapor density	>5 (vs air)
vapor pressure	1 mm Hg ( 20 °C)
FEMA	2028
refractive index	n20/D 1.541(lit.)
Fp	144 °F
storage temp.	2-8°C
solubility	Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
Water Solubility	Insoluble in water
form	oil
color	colorless to yellow
Odor	Diallyl disulfide is an essential odor component of garlic oil.
biological source	synthetic
Odor Threshold	0.00022ppm
Odor Type	alliaceous
JECFA Number	572
BRN	1699241
Henry's Law Constant	7.5×10^-3 mol/(m³Pa) at 25℃, Mazza (1980)
Major Application	cleaning products cosmetics food and beverages personal care
Cosmetics Ingredients Functions	PERFUMING
InChI	1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-6H2
Contact allergens	Diallyl disulfide is one of the major allergens in garlic (Allium sativum) and onions. Among patients patch-testpositive to garlic, all 13 who were tested had positive reactions to diallyl sulfide 5% pet. less more
InChIKey	PFRGXCVKLLPLIP-UHFFFAOYSA-N
SMILES	C=CCSSCC=C
LogP	3.26
CAS DataBase Reference	2179-57-9(CAS DataBase Reference)
NIST Chemistry Reference	Diallyl disulphide(2179-57-9)
EPA Substance Registry System	2179-57-9(EPA Substance)

Safety Data

Symbol(GHS)	GHS06
Signal word	Danger
Hazard statements	H301-H315-H319-H335
Precautionary statements	P301+P310+P330-P302+P352-P305+P351+P338
Hazard Codes	Xn,Xi
Risk Statements	R22:Harmful if swallowed. R36/37/38:Irritating to eyes, respiratory system and skin . R10:Flammable. less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . S37/39:Wear suitable gloves and eye/face protection . S16:Keep away from sources of ignition-No smoking . S36:Wear suitable protective clothing . less more
RIDADR	UN 2810 6.1/PG 3
WGK Germany	3
RTECS	BB1000000
F	13
TSCA	Yes
HazardClass	6.1
PackingGroup	II
HS Code	29309090
Storage Class	6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects
Hazard Classifications	Acute Tox. 3 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3
Hazardous Substances Data	2179-57-9(Hazardous Substances Data)

Raw materials And Preparation Products

Hazard Information

Chemical Properties

CLEAR YELLOW LIQUID

Uses

antineoplastic, antibacterial, apoptosis inducer, insecticide

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 .

Definition

ChEBI: An organic disulfide where the organic group specified is allyl. It has been isolated from garlic and other species of the genus Allium.

Description

Diallyl disulfide is one of the major allergens in garlic (Allium sativum) and onions. Among patients who are patch-test positive to garlic, all 13 who were tested had positive reactions to diallyl sulfide 5% petrolatum.

Occurrence

Main constituent of Allium sativum essential oil. Reported found in onion (Allium cipa, L.), garlic (Allium sativum L.), chive (Allium schoenoprasum L.), nira (Allium tuberosum rottl.), raw cabbage and caucas (Allium victoralis L.).

Preparation

By oxidation of allyl mercaptan with iodine in the presence of pyridine and ethanol; from sodium allyl thiosulfate with potassium hydroxide.

Aroma threshold values

Detection: 4.3 to 30 ppb; Recognition: 80 ppb

Taste threshold values

Taste characteristics at 2 ppm: green onion and garlic-like with meaty nuances

Synthesis Reference(s)

The Journal of Organic Chemistry, 31, p. 615, 1966 DOI: 10.1021/jo01340a520
Synthetic Communications, 25, p. 3573, 1995 DOI: 10.1080/00397919508015492

General Description

Allyl disulfide is naturally found in Allium species such as garlic and onion. It is used as a flavoring agent in meat and condiments.

Biochem/physiol Actions

Organosulfur compound that is naturally found in garlic. Contributes to the pungent odor of crushed garlic. Anticancer agent and may provide protection against cardiovascular disease.

Food additive

Reported uses (ppm): (FEMA, 1994)

Food Category	Usual	Max.
Alcoholic beverages	0.1	1
Baked goods	9.09	13.16
Condiments, relishes	13.82	15.21
Frozen dairy	0.1	1
Gelatins, puddings	0.5	1
Gravies	2	6.5
Meat products	9.4	13.1
Nonalcoholic beverages	0.07	0.68
Soft candy	0.5	1
Soups	1	10

storage

Store at -20°C

Purification Methods

Purify the disulfide by fractional distillation until the molar refractivity is in uniformly good agreement with the calculated value [Small et al. J Am Chem Soc 69 1710 1947]. It has also been purified by gas chromatography [retention times: Carson & Wong J Org Chem 24 175 1959, UV: Koch J Chem Soc 395 1949]. It is present in garlic. [Beilstein 1 IV 2098.]

Regulatory Status

CoE: Used provisionally. Food: 5 ppm
FDA: 21 CFR 172.515
FDA (other): n/a
JECFA: ADI: Acceptable. No safety concern at current levels of intake when used as a flavoring agent (1999).

Material Safety Data Sheet(MSDS)

Spectrum Detail

Well-known Reagent Company Product Information

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