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3-Methylbutanenitrile

Also known as: Isovaleronitrile, Isobutyl cyanide, 3-Methylbutyronitrile, 3-methyl-butyronitrile, Butanenitrile,3-methyl-, Butyronitrile, 2-methyl-, 2-Methylbutane secondary mononitrile, 2-methylbutanesecondarymononitrile, 3-methyl-butanenitril, 3-methyl-butyronitril

3-Methylbutanenitrile (CAS 625-28-5) 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 83.13170 g/mol. Key properties include a melting point of -101ºC, a boiling point of 128-130 °C730 mm Hg(lit.), a density of 0.795 g/mL at 25 °C(lit.) and a flash point of 28.3 °C. It is classified under GHS with signal word Danger and hazard statements H226 — Flammable liquid and vapour, H301 — Toxic if swallowed and H315 — Causes skin irritation. No supplier offers are currently listed; request a quote. Record last updated Nov 2, 2026.

CAS No.
625-28-5
Jingsj CID
J-1322220-2
Molecular Formula
C5H9N
Molecular Weight
83.13170 g/mol
Category
Nitrogen Compounds
Last updated
11/2/2026

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Physicochemical Properties

Melting Point-101ºC
Boiling Point128-130 °C730 mm Hg(lit.)
Density0.795 g/mL at 25 °C(lit.)
Flash Point28.3 °C
Exact Mass83.07350
PSA23.79000
LogP1.55608
Refractive Indexn20/D 1.393(lit.)

GHS Safety & Compliance

Flammable / Acute ToxicitySignal word: Danger
  • H226 — Flammable liquid and vapour
  • H301 — Toxic if swallowed
  • H315 — Causes skin irritation
  • H319 — Causes serious eye irritation
  • H335 — May cause respiratory irritation

Customs & Trade Information

HS Code2926909090
SummaryHS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Frequently Asked Questions

What is the CAS number of 3-Methylbutanenitrile?

The CAS number of 3-Methylbutanenitrile is 625-28-5.

What are the molecular formula and molecular weight of 3-Methylbutanenitrile?

3-Methylbutanenitrile has molecular formula C5H9N and molecular weight 83.13170 g/mol.

Is 3-Methylbutanenitrile hazardous?

3-Methylbutanenitrile has GHS signal word Danger and hazard statements H226 — Flammable liquid and vapour; H301 — Toxic if swallowed; H315 — Causes skin irritation.

What are the upstream and downstream products of 3-Methylbutanenitrile?

For 3-Methylbutanenitrile, Upstream Products: Isovaleric acid, 1-Bromo-2-methylpropane, Isovaleramide; Downstream Products: 3-Methylbutan-1-amine, Diisoamylamine, Ethyl 5-methyl-3-oxohexanoate.

Data compiled from public chemical databases such as PubChem and supplier catalogs; supplier offers are provided by suppliers.

Last updated:

How to cite: Jingsj. "3-Methylbutanenitrile (CAS 625-28-5)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-1322220-2 (accessed 2026-11-06).

Data for reference only; verify product details with suppliers before purchase.