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Nitriles, nitro and azo compounds

Hexanenitrile, 5-oxo-

Also known as 5-Oxohexanenitrile, 5-Oxohexanonitrile, 4-Acetylbutyronitrile

CAS 10412-98-3Formula C6H9NOMolar mass 111.14 g/molEC 233-884-3
GHS signal word: Warning. Pictograms: Harmful or irritant
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Hexanenitrile, 5-oxo- chemical structure, C6H9NO, CAS 10412-98-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
10412-98-3
Formula
C6H9NO
Molar mass
111.14 g/mol
EC number
233-884-3
HS code
292690
Category
Nitriles, nitro and azo compounds

What is Hexanenitrile, 5-oxo-?

Plain description, key identifiers and synonyms

Hexanenitrile, 5-oxo- is a chemical substance with the molecular formula C6H9NO and a molar mass of 111.14 g/mol. Its CAS registry number is 10412-98-3. The IUPAC name is 5-oxohexanenitrile.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-oxohexanenitrile
CAS number
10412-98-3 CAS number cross-checked
EC number
233-884-3
Molecular formula
C6H9NO
UNII
DD734N7VC5
MDL number
MFCD00010671
InChIKey
AEVMBQIIZGKQRB-UHFFFAOYSA-N
InChI
InChI=1S/C6H9NO/c1-6(8)4-2-3-5-7/h2-4H2,1H3
SMILES (canonical and isomeric)
CC(=O)CCCC#N

Synonyms

  • 5-Oxohexanenitrile
  • 5-Oxohexanonitrile
  • 4-Acetylbutyronitrile
  • gamma-acetobutyronitrile
  • 5-Ketohexanenitrile
  • 5-oxo-hexanenitrile
  • 5-oxocapronitrile
  • methyl 3-cyanopropyl ketone

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
111.14 g/molcalc.
Exact mass
111.0684 Dacalc.
LogP (octanol/water)
1.27calc.
Topological polar surface area
40.86 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
3calc.
Heavy atoms
8calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.67calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H312Harmful in contact with skin.
  • H332Harmful if inhaled.
Precautionary statements (13)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P317Get medical help.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Hexanenitrile, 5-oxo- suppliers

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Hexanenitrile, 5-oxo- price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

United States

  • TSCA inventory (USA)
    Status: Inactive in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Hexanenitrile, 5-oxo- is traded under.

HS 2926.90Indicative HS code

Nitrile-function compounds, other

World exports in 2024
$2.15B
−13.5% vs 2023, imports $2.17B
2019 to 2024
Top exporters
  1. China35.6%
  2. France * partner reported12.7%
  3. India * partner reported11.2%
Top importers
  1. United States13.6%
  2. China12.4%
  3. Brazil11.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Hexanenitrile, 5-oxo- is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Hexanenitrile, 5-oxo-, based on the data on this page

What is Hexanenitrile, 5-oxo-?

Hexanenitrile, 5-oxo- is a chemical substance with the molecular formula C6H9NO and a molar mass of 111.14 g/mol. Its CAS registry number is 10412-98-3. The IUPAC name is 5-oxohexanenitrile.

What is the CAS number of Hexanenitrile, 5-oxo-?

The CAS registry number of Hexanenitrile, 5-oxo- is 10412-98-3.

What is the molecular formula and weight of Hexanenitrile, 5-oxo-?

The molecular formula of Hexanenitrile, 5-oxo- is C6H9NO and its molar mass is 111.14 g/mol.

What is Hexanenitrile, 5-oxo- used for?

Known uses and roles of Hexanenitrile, 5-oxo- include building blocks in research and laboratory.

Is Hexanenitrile, 5-oxo- hazardous?

Hexanenitrile, 5-oxo- carries the GHS signal word "Warning". Main hazards: harmful if swallowed, harmful in contact with skin, harmful if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Hexanenitrile, 5-oxo-?

Hexanenitrile, 5-oxo- is usually classified under HS code 292690 (Nitrile-function compounds, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Hexanenitrile, 5-oxo-?

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What is the price of Hexanenitrile, 5-oxo-?

Suppliers quote Hexanenitrile, 5-oxo- on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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