Allicin (CAS 539-86-6) — formula C6H10OS2, molecular weight 162.3; category pharmaceutical intermediates and APIs.
Allicin (CAS 539-86-6) is a chemical raw material in the pharmaceutical intermediates and APIs category. Its molecular formula C6H10OS2 comprises 6 C, 10 H, 1 O, 2 S atoms. Its molecular weight is about 162.3. Reported physicochemical data: melting point around 25 °C, LogP about 1.3. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 539-86-6 |
|---|---|
| Molecular Formula | C6H10OS2 |
| Molecular Weight | 162.3 |
| Melting Point | 25 °C |
| LogP | 1.3 |
| Category | Pharmaceutical Intermediates & APIs |
Allicin is a pharmaceutical intermediate or API compound with CAS registry number 539-86-6 and molecular formula C6H10OS2 (molecular weight 162.3), belonging to the pharmaceutical intermediates and APIs segment of chemical raw materials.
CAS number: 539-86-6
Its molecular formula C6H10OS2 comprises 6 C, 10 H, 1 O, 2 S atoms.
Also known as: Allicin · 大蒜素
Category: pharmaceutical intermediates and APIs
The CAS registry number of Allicin is 539-86-6.
Molecular formula C6H10OS2, molecular weight 162.3.
It is also registered under: Allicin, 大蒜素.
Category: Pharmaceutical Intermediates & APIs.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for Allicin (CAS 539-86-6), compiled from public chemistry databases.
| CAS Registry Number | 539-86-6 |
|---|---|
| PubChem CID | 65036 |
| Molecular formula | C6H10OS2 |
| IUPAC name | 3-prop-2-enylsulfinylsulfanylprop-1-ene |
| UNII (FDA) | 3C39BY17Y6 |
| Molecular Weight | 162.3 |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 162.01730729 |
| Monoisotopic Mass | 162.01730729 |
| Topological Polar Surface Area | 61.6 |
| Heavy Atom Count | 9 |
| Melting Point | 25 °C |
|---|---|
| Solubility | 24 mg/mL at 10 °C |
Allicin; 539-86-6; Diallyl thiosulfinate; Thio-2-propene-1-sulfinic acid S-allyl ester; Allylthiosulphinic acid allyl ester; 3-prop-2-enylsulfinylsulfanylprop-1-ene; 2-Propene-1-sulfinothioic acid S-2-propenyl ester; DTXSID6043707; 3C39BY17Y6; CHEBI:28411; 3-[(prop-2-ene-1-sulfinyl)sulfanyl]prop-1-ene; 3-((prop-2-ene-1-sulfinyl)sulfanyl)prop-1-ene; RefChem:5523; DTXCID4023707; 208-727-7; S-allyl prop-2-ene-1-sulfinothioate
| Reported hazard statements | H315 (100%), H319 (100%), H335 (100%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Allicin · CAS 539-86-6 · C6H10OS2. UNII 3C39BY17Y6. Melting Point: 25 °C; Solubility: 24 mg/mL at 10 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 大蒜素