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Acetone cyanohydrin chemical structure, C4H7NO, CAS 75-86-5
2D chemical structure

Key facts

What buyers check first

Appearance
Colorless liquid
Melting point
-19 °C
Boiling point
95 °C
Density
0.9267 at 25 °C/4 °C
Flash point
74 °C
HS code
292690
Category
Insecticides and acaricides
UN number
UN 1541
Illustrative photo, clear liquid in sealed glass ampoules on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is Acetone cyanohydrin?

Plain description, key identifiers and synonyms

2-hydroxy-2-methylpropanenitrile is a cyanohydrin.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-hydroxy-2-methylpropanenitrile
CAS number
75-86-5 CAS number cross-checked
EC number
200-909-4
Molecular formula
C4H7NO
UNII
CO1YOV1KFI
MDL number
MFCD00004455
InChIKey
MWFMGBPGAXYFAR-UHFFFAOYSA-N
InChI
InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3
SMILES (canonical and isomeric)
CC(C)(C#N)O

Synonyms

  • 2-Hydroxy-2-methylpropanenitrile
  • Acetone cyanhydrin
  • 2-Hydroxyisobutyronitrile
  • 2-Methyllactonitrile
  • 2-Cyano-2-propanol
  • alpha-Hydroxyisobutyronitrile
  • Acetoncyanhydrin
  • 2-Cyano-2-hydroxypropane
  • Acetoncianidrina
  • Acetonkyanhydrin
  • 2-Propanone, cyanohydrin
  • Lactonitrile, 2-methyl-
  • Acetoncianhidrinei
  • Acetoncyaanhydrine
  • Acetonecyanhydrine
  • USAF RH-8
  • 2-Hydroxy-2-methylpropionitrile
  • Propanenitrile, 2-hydroxy-2-methyl-
  • Cyanhydrine d'acetone
  • RCRA waste number P069
  • 2-hydroxy-2-methyl-propionitrile
  • acetone-cyanohydrin
  • 2-Cyanopropan-2-ol
  • acetoncyanhydrine
  • Cyanohydrin-2-propanone
Show all 30 synonyms
  • 2-hydroxy-2-methyl-propanenitrile
  • Acetonecyanohydrin
  • Acetone cyanohydrin, stabilized
  • a-hydroxyisobutyronitrile
  • RCRA waste no. P069

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

Appearance
Colorless liquidexp.
Odour
Distinct strong cyanide odorexp.
Melting point
-19 °Cexp.
Boiling point
95 °Cexp.
Density
0.9267 at 25 °C/4 °Cexp.
Flash point
74 °Cexp.
Autoignition temperature
688 °Cexp.
Solubility
Very soluble in water, ethanol and ethyl ether, soluble in acetone, benzene and chloroformexp.
Vapour pressure
0.8 mm Hg at 20 °Cexp.

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
85.11 g/molcalc.
Exact mass
85.0528 Dacalc.
LogP (octanol/water)
0.28calc.
Topological polar surface area
44.02 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
0calc.
Heavy atoms
6calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.75calc.
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
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS09: Hazardous to the environment
Hazardous to the environment
242WNFPA 704 rating

Hazard statements

  • H300Fatal if swallowed.
  • H310Fatal in contact with skin.
  • H330Fatal if inhaled.
  • H400Very toxic to aquatic life.
  • H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (20)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P262Do not get in eyes, on skin, or on clothing.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P284In case of inadequate ventilation wear respiratory protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P316Get emergency medical help immediately.
  • P320Specific treatment is urgent (see supplemental first aid instructions on the label).
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
  • P391Collect spillage.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.
UN number
UN 1541
Transport hazard class
6.1
Packing group
I

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

Acetone cyanohydrin suppliers

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Uses and applications

What the substance is used for, by industry and function

The major use of acetone cyanohydrin is in the preparation of alpha-methacrylic acid and its esters, the latter are polymerized to form plexiglass. Acetone cyanohydrin also serves in the manufacture of acrylic esters, polyacrylic plastics, and synthetic resins. Smaller quantities have been used in the synthesis of azobisbutyronitrile, a radical initiator and catalyst that is used in the production of vinyl-tape monomers, it has also been used in the production of alpha-hydroxyisobutyric acid, a pharmaceutical intermediate.

Acetone cyanohydrin is used as a raw material for insecticide manufacture and also to produce ethyl alpha-hydroxyisobutyrate, a pharmaceutical intermediate. It has been used as a complexing agent for metals refining and separation.

Read more

Acetone cyanohydrin is also used as a reagent in the formation of aldehyde cyanohydrins from aldehydes and in combination with a potassium cyanide-crown ether complex and it acts as an effective, stereoselective hydrocyanating reagent.

In preparative organic chemistry for transcyanohydrination, such as preparing the 17-monocyanohydrin of a 3,17-diketo steroid by hydrogen cyanide exchange with reagent.

Largest use of acetone cyanohydrin is as an intermediate in the synthesis of methyl methacrylate, methacrylic acid, and higher methacrylate esters. A small amount is converted to methacrylamide.

Industrial uses: Dispersing agent, Intermediate.

How it is made

Acetone cyanohydrin is manufactured by the base-catalyzed condensation of acetone with hydrogen cyanide ... The reaction is reversible but formation of the cyanohydrin is quite favorable, the equilibrium constant is 28 L/mol at 20-25 °C. The reaction usually is carried out in the liquid phase. Representative catalysts used industrially are sodium hydroxide, potassium hydroxide, potassium carbonate, and anion-exchange resins.

Prepd by adding acetone to sodium or potassium cyanide in water and treating with H2SO4 at below 20 °C.

Regulatory status

Inventories, regulations and trade controls that list this substance

Europe

  • EU harmonised classification (CLP Annex VI)
    Index no: 608-004-00-X

United States

  • TSCA inventory (USA)
    Status: Active 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 Acetone cyanohydrin 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 Acetone cyanohydrin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Acetone cyanohydrin, based on the data on this page

What is Acetone cyanohydrin?

2-hydroxy-2-methylpropanenitrile is a cyanohydrin.

What is the CAS number of Acetone cyanohydrin?

The CAS registry number of Acetone cyanohydrin is 75-86-5.

What is the molecular formula and weight of Acetone cyanohydrin?

The molecular formula of Acetone cyanohydrin is C4H7NO and its molar mass is 85.11 g/mol.

What is Acetone cyanohydrin used for?

The major use of acetone cyanohydrin is in the preparation of alpha-methacrylic acid and its esters, the latter are polymerized to form plexiglass. Acetone cyanohydrin also serves in the manufacture of acrylic esters, polyacrylic plastics, and synthetic resins.

Is Acetone cyanohydrin hazardous?

Acetone cyanohydrin carries the GHS signal word "Danger". Main hazards: fatal if swallowed, fatal in contact with skin, fatal if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Acetone cyanohydrin?

Acetone cyanohydrin 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 Acetone cyanohydrin?

CompoundList lists 33 suppliers of Acetone cyanohydrin in India, United States, China, United Arab Emirates and 8 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Acetone cyanohydrin in India?

13 suppliers in India list Acetone cyanohydrin on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Acetone cyanohydrin?

Suppliers quote Acetone cyanohydrin 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

Practical guides that help when you source, ship or handle Acetone cyanohydrin

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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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