Acetone Cyanohydrin
TL;DR: Acetone Cyanohydrin (CAS 75-86-5) is a chemical compound with molecular formula C4H7NO and molecular weight 85.052765 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxy-2-methylpropanenitrile
Also Known As: ACETONE CYANOHYDRIN, Acetone cyanhydrin, 2-Hydroxy-2-methylpropanenitrile, 2-Methyllactonitrile, Acetoncyanhydrin
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H7NO |
| Molecular Weight | 85.052765 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 85.052765 Da |
| Heavy Atoms | 6 |
| Complexity | 87.0 |
| 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 |
| Flash Point | 165 °F (EPA, 1998) |
| Vapor Pressure | 0.8 mmHg at 68 °F (EPA, 1998) |
| Refractive Index | Index of refraction: 1.3992 at 20 °C/D |
| Solubility | greater than or equal to 100 mg/mL at 68 °F (NTP, 1992) |
| SMILES | CC(C)(C#N)O |
| InChIKey | MWFMGBPGAXYFAR-UHFFFAOYSA-N |
Product Description
Applications: Acetone Cyanohydrin is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Acetone Cyanohydrin (CAS 75-86-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Acetone Cyanohydrin is a heterocyclic building block identified by CAS number 75-86-5 and the molecular formula C4H7NO and a molecular weight of 85.05 g/mol. Physically, the compound has a density of 0.9267 at 77 °F (EPA, 1998) - Less dense than water; will float g/cm³, a solubility: greater than or equal to 100 mg/mL at 68 °F (NTP, 1992). It is also known as ACETONE CYANOHYDRIN and Acetone cyanhydrin.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Acetone Cyanohydrin
Property Insights of Acetone Cyanohydrin
The XLogP value of -0.1 indicates that Acetone Cyanohydrin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.0 Ų, Acetone Cyanohydrin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetone Cyanohydrin has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Acetone Cyanohydrin?
The CAS number of Acetone Cyanohydrin is 75-86-5.
What is the molecular formula of Acetone Cyanohydrin?
The molecular formula of Acetone Cyanohydrin is C4H7NO.
What is the molecular weight of Acetone Cyanohydrin?
The molecular weight of Acetone Cyanohydrin is 85.052765 g/mol.
What are the applications of Acetone Cyanohydrin?
Acetone Cyanohydrin is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Acetone...
Where can I buy Acetone Cyanohydrin?
You can request a quote for Acetone Cyanohydrin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetone Cyanohydrin?
Yes, CoreyChem provides custom synthesis services for Acetone Cyanohydrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.