tert-Butyl isothiocyanate
Also known as: tert-Butyl isothiocyanate, TERT-BUTYL ISOTHIOCYANATE, 2-isothiocyanato-2-methylpropane, 2-isothiocyanato-2-methyl-propan, AKOS BC-1285, BUTYL ISOTHIOCYANATE, TERT-, Isothiocyanic acid, tert-butyl ester, MFCD00004816, Propane, 2-isothiocyanato-2-methyl-, T-BUTYL ISOTHIOCYANATE
tert-Butyl isothiocyanate (CAS 590-42-1) is a compound in the Organic Acids category listed in the Jingsj chemical database. It has the molecular formula C5H9NS and a molecular weight of 115.197 g/mol. Key properties include a melting point of 8-11 °C, a boiling point of 141.6±0.0 °C at 760 mmHg, a density of 0.9±0.1 g/cm3 and a flash point of 38.3±0.0 °C. It is classified under GHS with signal word Danger and hazard statements H226 — Flammable liquid and vapour, H301 — Toxic if swallowed and H311 — Toxic in contact with skin. No supplier offers are currently listed; request a quote. Record last updated Aug 21, 2026.
- CAS No.
- 590-42-1
- Jingsj CID
- J-5626-8
- Molecular Formula
- C5H9NS
- Molecular Weight
- 115.197 g/mol
- Category
- Organic Acids
- Last updated
- 8/21/2026
No offers for this compound yet.
Request a quotePhysicochemical Properties
| Melting Point | 8-11 °C |
|---|---|
| Boiling Point | 141.6±0.0 °C at 760 mmHg |
| Density | 0.9±0.1 g/cm3 |
| Flash Point | 38.3±0.0 °C |
| Exact Mass | 115.045570 |
| PSA | 44.45000 |
| LogP | 2.17 |
| Vapor Pressure | 7.3±0.2 mmHg at 25°C |
| Refractive Index | 1.471 |
GHS Safety & Compliance
- H226 — Flammable liquid and vapour
- H301 — Toxic if swallowed
- H311 — Toxic in contact with skin
- H331 — Toxic if inhaled
- H319 — Causes serious eye irritation
- H335 — May cause respiratory irritation
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 tert-Butyl isothiocyanate?
The CAS number of tert-Butyl isothiocyanate is 590-42-1.
What are the molecular formula and molecular weight of tert-Butyl isothiocyanate?
tert-Butyl isothiocyanate has molecular formula C5H9NS and molecular weight 115.197 g/mol.
Is tert-Butyl isothiocyanate hazardous?
tert-Butyl isothiocyanate has GHS signal word Danger and hazard statements H226 — Flammable liquid and vapour; H301 — Toxic if swallowed; H311 — Toxic in contact with skin.
What are the upstream and downstream products of tert-Butyl isothiocyanate?
For tert-Butyl isothiocyanate, Upstream Products: Carbon disulphide, tert-Butylamine, tert-butyl chloride; Downstream Products: 2-Mercaptobenzimidazole, 1,3-Di-tert-butyl-2-thiourea, 1-tert-Butyl-3-phenylthiourea.
Data compiled from public chemical databases such as PubChem and supplier catalogs; supplier offers are provided by suppliers.
Last updated:
How to cite: Jingsj. "tert-Butyl isothiocyanate (CAS 590-42-1)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-5626-8 (accessed 2026-11-09).
Data for reference only; verify product details with suppliers before purchase.