Allyl disulfide (CAS 2179-57-9) — formula C6H10S2, molecular weight 146.02 g/mol.
| CAS Number | 2179-57-9 |
|---|---|
| Molecular Formula | C6H10S2 |
| Molecular Weight | 146.02 g/mol |
| Boiling Point | 79 °C @ 16 MM HG |
| LogP | 2.2 |
| Applications | Uses: Major constituent of garlic oil, [ChemIDplus] Used as synthetic flavoring ingredient, [HSDB] Constitutes 86.9% of diallyl disulfides (DADs) which is 90% active ingredient of biopesticide used to control white rot (fungal pathogen) in onions, garlic, and leeks, DADs are volatile sulfur compounds found in garlic, onions, and other members of Allium species, [EPA], Farming (Pesticides) [Category: Industry], SYNTHETIC FLAVORING ADJUVANT OR INGREDIENT, Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Methods of Manufacturing: BY OXIDATION OF ALLYL MERCAPTAN WITH IODINE IN THE PRESENCE OF PYRIDINE & ETHANOL, FROM SODIUM ALLYL THIOSULFATE WITH POTASSIUM HYDROXIDE., General Manufacturing Information: 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., MAIN CONSTITUENT OF ALLIUM SATIVUM ESSENTIAL OIL., FEMA NUMBER 2028 |
Documented applications: Uses: Major constituent of garlic oil, [ChemIDplus] Used as synthetic flavoring ingredient, [HSDB] Constitutes 86.9% of diallyl disulfides (DADs) which is 90% active ingredient of biopesticide used to control white rot (fungal pathogen) in onions, garlic, and leeks, DADs are volatile sulfur compounds found in garlic, onions, and other members of Allium species, [EPA], Farming (Pesticides) [Category: Industry], SYNTHETIC FLAVORING ADJUVANT OR INGREDIENT, Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Methods of Manufacturing: BY OXIDATION OF ALLYL MERCAPTAN WITH IODINE IN THE PRESENCE OF PYRIDINE & ETHANOL, FROM SODIUM ALLYL THIOSULFATE WITH POTASSIUM HYDROXIDE., General Manufacturing Information: 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., MAIN CONSTITUENT OF ALLIUM SATIVUM ESSENTIAL OIL., FEMA NUMBER 2028.
Allyl disulfide is a chemical compound with CAS registry number 2179-57-9 and molecular formula C6H10S2 (molecular weight 146.02 g/mol).
CAS number: 2179-57-9
Its molecular formula C6H10S2 comprises 6 C, 10 H, 2 S atoms.
Also known as: Allyl disulfide · Diallyl Disulfide
The CAS registry number of Allyl disulfide is 2179-57-9.
Molecular formula C6H10S2, molecular weight 146.02 g/mol.
It is also registered under: Allyl disulfide, Diallyl Disulfide.
Recorded applications: Uses: Major constituent of garlic oil, [ChemIDplus] Used as synthetic flavoring ingredient, [HSDB] Constitutes 86.9% of diallyl disulfides (DADs) which is 90% active ingredient of biopesticide used to control white rot (fungal pathogen) in onions, garlic, and leeks, DADs are volatile sulfur compounds found in garlic, onions, and other members of Allium species, [EPA], Farming (Pesticides) [Category: Industry], SYNTHETIC FLAVORING ADJUVANT OR INGREDIENT, Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Methods of Manufacturing: BY OXIDATION OF ALLYL MERCAPTAN WITH IODINE IN THE PRESENCE OF PYRIDINE & ETHANOL, FROM SODIUM ALLYL THIOSULFATE WITH POTASSIUM HYDROXIDE., General Manufacturing Information: 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., MAIN CONSTITUENT OF ALLIUM SATIVUM ESSENTIAL OIL., FEMA NUMBER 2028.
Independent reference data for Allyl disulfide (CAS 2179-57-9), compiled from public chemistry databases.
| 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 |
| 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 |
| 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 |
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
| 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 |
|---|
| Reported hazard statements | H226 (97.4%), H301 (99.6%), H315 (99%), H317 (96.2%), H319 (99%) |
|---|
H226 (97.4%): Flammable liquid and vapor [Warning Flammable liquids]
H301 (99.6%): Toxic if swallowed [Danger Acute toxicity, oral]
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).
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: Allyl disulfide