Alliin
Also known as: S-Allyl-L-cysteine sulfoxide, L-(+)-Alliin, (S)-3-(Allylsulphinyl)-L-alanine, 3-(Allylsulfinyl)-L-alanine, S-Allyl-L-cystein-S-oxid
Alliin (CAS 556-27-4) is a compound in the Organic Acids category listed in the Jingsj chemical database. It has the molecular formula C6H11NO3S and a molecular weight of 177.221 g/mol. Key properties include a melting point of 165ºC, a boiling point of 416.1±45.0 °C at 760 mmHg, a density of 1.4±0.1 g/cm3 and a flash point of 205.5±28.7 °C. It is classified under GHS with signal word Warning and hazard statements H315 — Causes skin irritation, H319 — Causes serious eye irritation and H335 — May cause respiratory irritation. No supplier offers are currently listed; request a quote. Record last updated Aug 21, 2026.
- CAS No.
- 556-27-4
- Jingsj CID
- J-11793-1
- Molecular Formula
- C6H11NO3S
- Molecular Weight
- 177.221 g/mol
- Category
- Organic Acids
- Last updated
- 8/21/2026
No offers for this compound yet.
Request a quotePhysicochemical Properties
| Melting Point | 165ºC |
|---|---|
| Boiling Point | 416.1±45.0 °C at 760 mmHg |
| Density | 1.4±0.1 g/cm3 |
| Flash Point | 205.5±28.7 °C |
| Exact Mass | 177.045959 |
| PSA | 99.60000 |
| LogP | -0.48 |
| Vapor Pressure | 0.0±2.1 mmHg at 25°C |
| Refractive Index | 1.579 |
| Storage Conditions | −20°C |
GHS Safety & Compliance
- H315 — Causes skin irritation
- H319 — Causes serious eye irritation
- H335 — May cause respiratory irritation
Activity & Biological Data
| Additional Information | [1]. Lu J, et al. Alliin attenuates 1, 3-dichloro-2-propanol-induced lipogenesis in HepG2 cells through activation of the AMP-activated protein kinase-dependent pathway. Life Sci. 2018 Feb 15;195:19-24. [2]. Shi L, et al. Alliin, a garlic organosulfur compound, ameliorates gut inflammation through MAPK-NF-κB/AP-1/STAT-1 inactivation and PPAR-γ activation. Mol Nutr Food Res. 2017 Sep;61(9). |
|---|
Customs & Trade Information
| HS Code | 2942000000 |
|---|
Frequently Asked Questions
What is the CAS number of Alliin?
The CAS number of Alliin is 556-27-4.
What are the molecular formula and molecular weight of Alliin?
Alliin has molecular formula C6H11NO3S and molecular weight 177.221 g/mol.
Is Alliin hazardous?
Alliin has GHS signal word Warning and hazard statements H315 — Causes skin irritation; H319 — Causes serious eye irritation; H335 — May cause respiratory irritation.
What are the upstream and downstream products of Alliin?
For Alliin, Upstream Products: S-Allyl-L-cysteine, DL-S-Allylcysteine; Downstream Products: Allicin, Pyruvic acid, (2R)-2-amino-3-(propylsulfinyl)propanoic acid.
Data compiled from public chemical databases such as PubChem and supplier catalogs; supplier offers are provided by suppliers.
Last updated:
How to cite: Jingsj. "Alliin (CAS 556-27-4)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-11793-1 (accessed 2026-11-06).
Data for reference only; verify product details with suppliers before purchase.