Diallyl Disulfide

Description

Allyl disulfide is identified by CAS 2179-57-9, molecular formula C6H10S2 and molecular weight 146.02 g/mol. UNII 5HI47O6OA7; ChEBI 4488; InChIKey PFRGXCVKLLPLIP-UHFFFAOYSA-N. Boiling Point: 79 °C @ 16 MM HG; Boiling Point: 138.00 to 139.00 °C. @ 760.00 mm Hg; Boiling Point: 79 °C (16 mm Hg).

Identification

CAS Registry Number	2179-57-9
PubChem CID	16590
Molecular formula	C6H10S2
Molecular weight	146.02 g/mol
IUPAC name	3-(prop-2-enyldisulfanyl)prop-1-ene
InChIKey	PFRGXCVKLLPLIP-UHFFFAOYSA-N
UNII (FDA)	5HI47O6OA7
ChEBI ID	CHEBI:4488
FEMA number	2028
JECFA number	572

Computed Descriptors

Molecular Weight	146.3
XLogP3	2.2
Hydrogen Bond Donor Count	0
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
Formal Charge	0

Physical & Chemical Properties

Boiling Point	79 °C @ 16 MM HG
Boiling Point	138.00 to 139.00 °C. @ 760.00 mm Hg
Boiling Point	79 °C (16 mm Hg)
Boiling Point	174.2 °F at 16 mmHg
Density	1.010 @ 15 °C
Density	0.998-1.015
Vapor Density	1.010@59 °F
Vapor Pressure	1.0 [mmHg]
Refractive Index	1.537-1.551

Physical description & handling notes

• Liquid with a garlic odor; [HSDB] Colorless liquid with a garlic-like stench; [Alfa Aesar MSDS]
• pale yellow liquid with odour of garlic; lacrymator
• Garlic odor.
• LIQUID
• GARLIC ODOR
• SHARP, GARLIC FLAVOR

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Garlic No safety concern at current levels of intake when used as a flavouring agent

GHS Hazard Classification

Reported hazard statements	H226 (97.4%), H301 (99.6%), H315 (99%), H317 (96.2%), H319 (99%)

Documented Uses

• SYNTHETIC FLAVORING ADJUVANT OR INGREDIENT
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• BY OXIDATION OF ALLYL MERCAPTAN WITH IODINE IN THE PRESENCE OF PYRIDINE & ETHANOL; FROM SODIUM ALLYL THIOSULFATE WITH POTASSIUM HYDROXIDE.
• Disulfide, di-2-propen-1-yl: ACTIVE
• IN CONDIMENTS 6.5 PPM; MEATS 7.0 PPM.

Synonyms

DIALLYL DISULFIDE; 2179-57-9; Diallyldisulfide; Allyl disulfide; Diallyl disulphide; Disulfide, di-2-propenyl; Allyl disulphide; 2-Propenyl disulphide; 4,5-Dithia-1,7-octadiene; 2-Propenyl disulfide; 3-(prop-2-enyldisulfanyl)prop-1-ene; FEMA No. 2028; DTXSID9035206; 3-(prop-2-en-1-yldisulfanyl)prop-1-ene; 5HI47O6OA7; NSC-29228

Frequently Asked Questions

What are the CAS number and molecular formula of Allyl disulfide?

CAS 2179-57-9; molecular formula C6H10S2; molecular weight 146.02 g/mol.

What other names is Allyl disulfide known by?

DIALLYL DISULFIDE, 2179-57-9, Diallyldisulfide, Allyl disulfide, Diallyl disulphide, Disulfide, di-2-propenyl.

What is the regulatory status of Allyl disulfide?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is Allyl disulfide classified as hazardous?

Hazard statements reported: H226, H301, H315, H317, H319.

What are the key physical properties of Allyl disulfide?

Boiling Point: 79 °C @ 16 MM HG; Boiling Point: 138.00 to 139.00 °C. @ 760.00 mm Hg; Boiling Point: 79 °C (16 mm Hg); Boiling Point: 174.2 °F at 16 mmHg.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.