Allyl isothiocyanate
Also known as: 3-Isothiocyanato-1-propene, 3-isothiocyanatoprop-1-ene, 1-Propene, 3-isothiocyanato-, AITC, Allylsenevol, Allylsenfoel, carbospol, FEMA 2034, Redskin, senfoel
Allyl isothiocyanate (CAS 57-06-7) is a compound in the Organic Acids category listed in the Jingsj chemical database. It has the molecular formula C4H5NS and a molecular weight of 99.154 g/mol. Key properties include a melting point of -80 °C, a boiling point of 151.9±9.0 °C at 760 mmHg, a density of 0.9±0.1 g/cm3 and a flash point of 36.3±26.5 °C. It is classified under GHS with signal word Danger and hazard statements H226 — Flammable liquid and vapour, H301 — Toxic if swallowed and H331 — Toxic if inhaled. No supplier offers are currently listed; request a quote. Record last updated Aug 21, 2026.
- CAS No.
- 57-06-7
- Jingsj CID
- J-27669-7
- Molecular Formula
- C4H5NS
- Molecular Weight
- 99.154 g/mol
- Category
- Organic Acids
- Last updated
- 8/21/2026
No offers for this compound yet.
Request a quotePhysicochemical Properties
| Melting Point | -80 °C |
|---|---|
| Boiling Point | 151.9±9.0 °C at 760 mmHg |
| Density | 0.9±0.1 g/cm3 |
| Flash Point | 36.3±26.5 °C |
| Exact Mass | 99.014267 |
| PSA | 44.45000 |
| LogP | 1.77 |
| Vapor Pressure | 4.6±0.3 mmHg at 25°C |
| Refractive Index | 1.485 |
| Additional Property | 2 g/L (20 ºC) |
GHS Safety & Compliance
- H226 — Flammable liquid and vapour
- H301 — Toxic if swallowed
- H331 — Toxic if inhaled
- H310
- H315 — Causes skin irritation
- H317 — May cause an allergic skin reaction
- H319 — Causes serious eye irritation
- H334 — May cause allergy or asthma symptoms if inhaled
- H410 — Very toxic to aquatic life with long lasting effects
Customs & Trade Information
| HS Code | 2930909090 |
|---|---|
| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
Frequently Asked Questions
What is the CAS number of Allyl isothiocyanate?
The CAS number of Allyl isothiocyanate is 57-06-7.
What are the molecular formula and molecular weight of Allyl isothiocyanate?
Allyl isothiocyanate has molecular formula C4H5NS and molecular weight 99.154 g/mol.
Is Allyl isothiocyanate hazardous?
Allyl isothiocyanate has GHS signal word Danger and hazard statements H226 — Flammable liquid and vapour; H301 — Toxic if swallowed; H331 — Toxic if inhaled.
What are the upstream and downstream products of Allyl isothiocyanate?
For Allyl isothiocyanate, Downstream Products: Diallyl sulfide, Potassium thiocyanate, Thiocyanic 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. "Allyl isothiocyanate (CAS 57-06-7)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-27669-7 (accessed 2026-11-09).
Data for reference only; verify product details with suppliers before purchase.