Acetone Cyanohydrin
IUPAC: 2-hydroxy-2-methylpropanenitrile
Plain text
Chemfused. (2026). Acetone Cyanohydrin, CAS 75-86-5. Retrieved 2026-04-28 from https://chemfused.com/cas/75-86-5
BibTeX
@misc{chemfused-cas-75865,
title = {Acetone Cyanohydrin, CAS 75-86-5},
author = {Chemfused},
year = {2026},
url = {https://chemfused.com/cas/75-86-5},
urldate = {2026-04-28}
}
Acetone Cyanohydrin (CAS 75-86-5) is a chemical compound with molecular formula C4H7NO and molecular weight 85.1 g/mol . GHS signal word: Danger. Hazard classifications: Toxic, Health Hazard, Serious Health Hazard, Hazardous to the Environment.
What is Acetone Cyanohydrin?
- Molecular Formula
- C4H7NO
- Molecular Weight
- 85.10 g/mol
- Melting Point
- -2.2 °F (EPA, 1998)
- Boiling Point
- 180 °F at 23 mmHg (EPA, 1998)
- Density
- 0.9267 at 77 °F (EPA, 1998) - Less dense than water; will float
- Solubility
- greater than or equal to 100 mg/mL at 68 °F (NTP, 1992)
Description
2-hydroxy-2-methylpropanenitrile is a cyanohydrin.
Structure Identifiers
- SMILES
- CC(C)(C#N)O
- InChI
- InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3
- InChIKey
- MWFMGBPGAXYFAR-UHFFFAOYSA-N
Properties
Computed
Calculated molecular descriptors used in drug design and computational chemistry.
- Exact Mass
- 85.0528 Da
- XLogP
- -0.10
- TPSA
- 44.0 Ų
- H-Bond Donors
- 1
- H-Bond Acceptors
- 2
- Complexity
- 87
- Formal Charge
- 0
Experimental
Measured physical and chemical properties from experimental literature.
- Color / Form
- Colorless liquid
- Odor
- Distinct strong cyanide odor
- Vapor Pressure
- 0.8 mmHg at 68 °F (EPA, 1998)
- Odor Threshold
- Odor Threshold Low: 3.0 [mg/m3]
- Decomposition
- When heated to decomposition it emits toxic fumes of /hydrogen cyanide/.
Safety information
Signal Word
GHS Pictograms
GHS06
GHS07
GHS08
GHS09
Hazard Statements
- H227 Combustible liquid
- H300 Fatal if swallowed
- H310 Fatal in contact with skin
- H330 Fatal if inhaled
Precautionary Statements
- P210 Keep away from heat/sparks/open flames/hot surfaces - No smoking
- P260 Do not breathe dust/fume/gas/mist/vapours/spray
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray
- P262 Do not get in eyes, on skin, or on clothing
- P264 Wash thoroughly after handling
- P270 Do not eat, drink or smoke when using this product
- P271 Use only outdoors or in a well-ventilated area
- P273 Avoid release to the environment
- P280 Wear protective gloves/protective clothing/eye protection/face protection
- P284 Wear respiratory protection
- P302+P352 IF ON SKIN: Wash with soap and water
- P304+P340 IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
- P305+P351+P338 IF IN EYES: Rinse continuously with water for several minutes. Remove contact lenses if present and easy to do, continue rinsing
- P320 Specific treatment is urgent (see supplemental first aid instructions on this label)
- P321 Specific treatment (see supplemental first aid instructions on this label)
- P330 Rinse mouth
- P370+P378 In case of fire: Use appropriate media for extinction
- P391 Collect spillage
- P403 Store in a well-ventilated place
- P403+P233 Store in a well-ventilated place. Keep container tightly closed
- P405 Store locked up
- P501 Dispose of contents/container to an approved waste disposal plant
Synonyms (101)
- M0361
- C02659
- NSC977
- UN1541
- 75-86-5
- DB02203
- NSC-977
- NSC7080
- Q222936
- UN 1541
- HSDB 971
- NSC-7080
- 200-909-4
- AI3-04257
- BBL011349
- EBC-47517
- NSC131093
- SBB004397
- STL146439
- USAF RH-8
- CCRIS 4657
- CO1YOV1KFI
- F1908-0094
- NS00001430
- NSC 131093
- NSC-131093
- BRN 0605391
- CAS-75-86-5
- CHEBI:15348
- EN300-19189
- DTXCID705427
- EC 200-909-4
- MFCD00004455
- SCHEMBL34145
- Tox21_201490
- Tox21_303256
- AKOS000118890
- CHEMBL1231861
- DTXSID7025427
- WLN: QX1&1&CN
- RefChem:552382
- SCHEMBL3827613
- NCGC00249054-01
- NCGC00257016-01
- NCGC00259041-01
- UNII-CO1YOV1KFI
- Acetoncianidrina
- Acetoncyanhydrin
- Acetonkyanhydrin
- EINECS 200-909-4
Show 51 more names Show fewer names
- acetoncyanhydrine
- 2-Cyano-2-propanol
- 2-Cyanopropan-2-ol
- aceton cyanohydrin
- Acetoncianhidrinei
- Acetoncyaanhydrine
- Acetone cyanhydrin
- Acetonecyanhydrine
- Acetonecyanohydrin
- acetone cyanhydrine
- ACETONE CYANOHYDRIN
- acetone-cyanohydrin
- RCRA waste no. P069
- 2-Methyllactonitrile
- acetone cyano-hydrin
- acetone cyanohydrine
- acetone-cyanohydrine
- Cyanhydrine d'acetone
- RCRA waste number P069
- Cyanohydrin-2-propanone
- Lactonitrile, 2-methyl-
- 2-Cyano-2-hydroxypropane
- 2-hydroxy-2-cyanopropane
- 2-Propanone, cyanohydrin
- ACETONE CYANOHYDRIN [MI]
- Acetone cyanohydrin, 99%
- Acetonkyanhydrin [Czech]
- 2-Hydroxyisobutyronitrile
- a-hydroxyisobutyronitrile
- Acetoncyanhydrin [German]
- Acetoncianidrina [Italian]
- Acetoncyaanhydrine [Dutch]
- DIMETHYLKETONE CYANOHYDRIN
- Acetonecyanhydrine [French]
- Acetoncianhidrinei [Romanian]
- alpha-Hydroxyisobutyronitrile
- Cyanhydrine d'acetone [French]
- .alpha.-Hydroxyisobutyronitrile
- 2-Hydroxy-2-methylpropionitrile
- 2-methyl-2-hydroxypropionitrile
- Acetone cyanohydrin, stabilized
- 2-hydroxy-2-methyl-propionitrile
- 2-Hydroxy-2-methylpropanenitrile
- 2-Methyl-2-hydroxypropanenitrile
- 2-hydroxy-2-methyl-propanenitrile
- 2-hydroxy-2-methylpropane nitrile
- 2-Hydroxy-2-methylpropanenitrile #
- Propanenitrile, 2-hydroxy-2-methyl-
- InChI=1/C4H7NO/c1-4(2,6)3-5/h6H,1-2H
- 4-03-00-00785 (Beilstein Handbook Reference)
- Acetone cyanohydrin, stabilized [UN1541] [Poison]
Frequently asked questions
What is the CAS number of Acetone Cyanohydrin?
The CAS Registry Number for Acetone Cyanohydrin is 75-86-5.
What is the IUPAC name of Acetone Cyanohydrin?
The IUPAC name of Acetone Cyanohydrin is 2-hydroxy-2-methylpropanenitrile.
What is the molecular formula of Acetone Cyanohydrin?
Acetone Cyanohydrin has the molecular formula C4H7NO and a molecular weight of 85.1 g/mol.
What is the SMILES notation for Acetone Cyanohydrin?
The SMILES notation for Acetone Cyanohydrin is CC(C)(C#N)O.
What is the melting point of Acetone Cyanohydrin?
The melting point of Acetone Cyanohydrin is -2.2 °F (EPA, 1998).
What is the boiling point of Acetone Cyanohydrin?
The boiling point of Acetone Cyanohydrin is 180 °F at 23 mmHg (EPA, 1998).
What is the density of Acetone Cyanohydrin?
The density of Acetone Cyanohydrin is 0.9267 at 77 °F (EPA, 1998) - Less dense than water; will float.
How soluble is Acetone Cyanohydrin?
Solubility of Acetone Cyanohydrin: greater than or equal to 100 mg/mL at 68 °F (NTP, 1992).
Is Acetone Cyanohydrin hazardous?
Acetone Cyanohydrin carries the following GHS hazard classifications: Toxic, Health Hazard, Serious Health Hazard, Hazardous to the Environment. Signal word: Danger.
What are other names for Acetone Cyanohydrin?
Acetone Cyanohydrin is also known as .alpha.-Hydroxyisobutyronitrile, 2-Cyano-2-hydroxypropane, 2-Cyano-2-propanol, 2-Cyanopropan-2-ol, 2-hydroxy-2-cyanopropane.
Data sourced from PubChem CID 6406. Last updated .
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