Trimethylacetonitrile
Also known as: Pivalonitrile, tert-Butyl cyanide, 2,2-Dimethylpropanenitrile, 2,2-Dimethylpropionitrile, 2-Cyano-2-methylpropane, tert-Butylnitrile, Neopentanenitrile
Trimethylacetonitrile (CAS 630-18-2) is a compound in the Nitrogen Compounds category listed in the Jingsj chemical database. It has the molecular formula C5H9N and a molecular weight of 83.132 g/mol. Key properties include a melting point of 15-16 °C(lit.), a boiling point of 105.5±8.0 °C at 760 mmHg, a density of 0.8±0.1 g/cm3 and a flash point of 4.4±0.0 °C. It is classified under GHS with signal word Danger and hazard statements H225 — Highly 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.
- 630-18-2
- Jingsj CID
- J-21941-7
- Molecular Formula
- C5H9N
- Molecular Weight
- 83.132 g/mol
- Category
- Nitrogen Compounds
- Last updated
- 8/21/2026
No offers for this compound yet.
Request a quotePhysicochemical Properties
| Melting Point | 15-16 °C(lit.) |
|---|---|
| Boiling Point | 105.5±8.0 °C at 760 mmHg |
| Density | 0.8±0.1 g/cm3 |
| Flash Point | 4.4±0.0 °C |
| Exact Mass | 83.073502 |
| PSA | 23.79000 |
| LogP | 0.78 |
| Vapor Pressure | 29.5±0.2 mmHg at 25°C |
| Refractive Index | 1.396 |
GHS Safety & Compliance
- H225 — Highly flammable liquid and vapour
- H301 — Toxic if swallowed
- H311 — Toxic in contact with skin
- H331 — Toxic if inhaled
Frequently Asked Questions
What is the CAS number of Trimethylacetonitrile?
The CAS number of Trimethylacetonitrile is 630-18-2.
What are the molecular formula and molecular weight of Trimethylacetonitrile?
Trimethylacetonitrile has molecular formula C5H9N and molecular weight 83.132 g/mol.
Is Trimethylacetonitrile hazardous?
Trimethylacetonitrile has GHS signal word Danger and hazard statements H225 — Highly flammable liquid and vapour; H301 — Toxic if swallowed; H311 — Toxic in contact with skin.
What are the upstream and downstream products of Trimethylacetonitrile?
For Trimethylacetonitrile, Upstream Products: Trimethylacetaldehyde, Pivalaldehyde oxime, Pivaloyl chloride; Downstream Products: 3-Hydroxy-2,2-dimethylpropanenitrile, 1-(4-Methylbenzenesulfonyl)-3,3-dimethyl-2-butanone, 2,6-Di-tert-butyl-4-methylpyridine.
Data compiled from public chemical databases such as PubChem and supplier catalogs; supplier offers are provided by suppliers.
Last updated:
How to cite: Jingsj. "Trimethylacetonitrile (CAS 630-18-2)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-21941-7 (accessed 2026-11-06).
Data for reference only; verify product details with suppliers before purchase.