Diallyl trisulfide (CAS 2050-87-5) — formula C6H10S3, molecular weight 177.99 g/mol; category organic chemicals.
| CAS Number | 2050-87-5 |
|---|---|
| Molecular Formula | C6H10S3 |
| Molecular Weight | 177.99 g/mol |
| Boiling Point | 112.00 to 120.00 °C. @ 16.00 mm Hg |
| LogP | 2.6 |
| Applications | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Cosmetics -> Antimicrobial, Household Products: Information on 10 consumer products that contain Garlic extract in the following categories is provided:, • Landscaping, Yard, • Personal Care, • Pesticides |
| Category | Organic Chemicals |
Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Cosmetics -> Antimicrobial, Household Products: Information on 10 consumer products that contain Garlic extract in the following categories is provided:, • Landscaping, Yard, • Personal Care, • Pesticides.
Diallyl trisulfide is a carbon-based organic compound with CAS registry number 2050-87-5 and molecular formula C6H10S3 (molecular weight 177.99 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2050-87-5
Its molecular formula C6H10S3 comprises 6 C, 10 H, 3 S atoms.
Also known as: Diallyl trisulfide · Garlic Extract
Category: organic chemicals
The CAS registry number of Diallyl trisulfide is 2050-87-5.
Molecular formula C6H10S3, molecular weight 177.99 g/mol.
It is also registered under: Diallyl trisulfide, Garlic Extract.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Cosmetics -> Antimicrobial, Household Products: Information on 10 consumer products that contain Garlic extract in the following categories is provided:, • Landscaping, Yard, • Personal Care, • Pesticides.
Category: Organic Chemicals.
Independent reference data for Diallyl trisulfide (CAS 2050-87-5), compiled from public chemistry databases.
| CAS Registry Number | 2050-87-5 |
|---|---|
| PubChem CID | 16315 |
| Molecular formula | C6H10S3 |
| Molecular weight | 177.99 g/mol |
| IUPAC name | 3-(prop-2-enyltrisulfanyl)prop-1-ene |
| InChIKey | UBAXRAHSPKWNCX-UHFFFAOYSA-N |
| UNII (FDA) | 0ZO1U5A3XX |
| ChEBI ID | CHEBI:78492 |
| FEMA number | 3265 |
| JECFA number | 587 |
| Molecular Weight | 178.3 |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 177.99446384 |
| Monoisotopic Mass | 177.99446384 |
| Topological Polar Surface Area | 75.9 |
| Heavy Atom Count | 9 |
| Boiling Point | 112.00 to 120.00 °C. @ 16.00 mm Hg |
|---|---|
| Boiling Point | 112-120 °C (16 mm Hg); 95-97 °C (5 mm Hg); 70 °C (1.0 mm Hg) |
| Density | 1.135-1.170 |
| Refractive Index | 1.600-1.620 |
Diallyl trisulfide; 2050-87-5; ALLYL TRISULFIDE; Allitridin; Trisulfide, di-2-propenyl; Di-2-propenyl trisulfide; allitridum; diallyltrisulfane; FEMA No. 3265; bis(prop-2-en-1-yl)trisulfane; 3-(prop-2-enyltrisulfanyl)prop-1-ene; DTXSID9045972; 0ZO1U5A3XX; NSC651936; ALLITRIDE; NSC-651936
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory GARLIC EXTRACT |
|---|
| Reported hazard statements | H302 (97.4%) |
|---|
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Diallyl trisulfide is identified by CAS 2050-87-5, molecular formula C6H10S3 and molecular weight 177.99 g/mol. UNII 0ZO1U5A3XX; ChEBI 78492; InChIKey UBAXRAHSPKWNCX-UHFFFAOYSA-N. Boiling Point: 112.00 to 120.00 °C. @ 16.00 mm Hg; Boiling Point: 112-120 °C (16 mm Hg); 95-97 °C (5 mm Hg); 70 °C (1.0 mm Hg); Density: 1.135-1.170.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: Diallyl trisulfide