hexyl isothiocyanate
Also known as: 1-Hexyl isothiocyanate, 1-Isothiocyanatohexane, n-Hexyl mustard oil, Hexane, 1-isothiocyanato-, Isothiocyanic acid, hexyl ester, N-HEXYL ISOTHIOCYANATE
hexyl isothiocyanate (CAS 4404-45-9) is a compound in the Organic Acids category listed in the Jingsj chemical database. It has the molecular formula C7H13NS and a molecular weight of 143.25000 g/mol. Key properties include a boiling point of 136-138 °C96 mm Hg(lit.), a density of 0.933 g/mL at 25 °C(lit.) and a flash point of 90.6 °C. It is classified under GHS with signal word Danger and hazard statements H301 — Toxic if swallowed, H311 — Toxic in contact with skin and H315 — Causes skin irritation. No supplier offers are currently listed; request a quote. Record last updated Nov 2, 2026.
- CAS No.
- 4404-45-9
- Jingsj CID
- J-44617-3
- Molecular Formula
- C7H13NS
- Molecular Weight
- 143.25000 g/mol
- Category
- Organic Acids
- Last updated
- 11/2/2026
No offers for this compound yet.
Request a quotePhysicochemical Properties
| Boiling Point | 136-138 °C96 mm Hg(lit.) |
|---|---|
| Density | 0.933 g/mL at 25 °C(lit.) |
| Flash Point | 90.6 °C |
| Exact Mass | 143.07700 |
| PSA | 44.45000 |
| LogP | 2.66950 |
| Refractive Index | n20/D 1.491(lit.) |
GHS Safety & Compliance
- H301 — Toxic if swallowed
- H311 — Toxic in contact with skin
- H315 — Causes skin irritation
- H319 — Causes serious eye irritation
- H331 — Toxic if inhaled
- 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 hexyl isothiocyanate?
The CAS number of hexyl isothiocyanate is 4404-45-9.
What are the molecular formula and molecular weight of hexyl isothiocyanate?
hexyl isothiocyanate has molecular formula C7H13NS and molecular weight 143.25000 g/mol.
Is hexyl isothiocyanate hazardous?
hexyl isothiocyanate has GHS signal word Danger and hazard statements H301 — Toxic if swallowed; H311 — Toxic in contact with skin; H315 — Causes skin irritation.
What are the upstream and downstream products of hexyl isothiocyanate?
For hexyl isothiocyanate, Upstream Products: Carbon disulphide, Hexylamine, Phenyl chlorothionocarbonate; Downstream Products: 1,3-Dihexylthiourea, 4-Hexyl-3-thiosemicarbazide.
Data compiled from public chemical databases such as PubChem and supplier catalogs; supplier offers are provided by suppliers.
Last updated:
How to cite: Jingsj. "hexyl isothiocyanate (CAS 4404-45-9)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-44617-3 (accessed 2026-11-09).
Data for reference only; verify product details with suppliers before purchase.