| Pack Size | Qty | Lead Time | Price | Quantity |
Lot Number
CAS #
*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!
| IUPAC name | 4-methylpentan-2-one |
| canonical smiles | CC(C)CC(=O)C |
| inchi | InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3 |
| inchi key | NTIZESTWPVYFNL-UHFFFAOYSA-N |
| molecular formula | C6H12O |
| synonyms | |
| Compound Description |
| Molecular Weight: | 100.16 g/mol |
| XLogP3: | 1.3 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptor Count: | 1 |
| Rotatable Bond Count: | 2 |
| Exact Mass: | 100.088815002 g/mol |
| Monoisotopic Mass: | 100.088815002 g/mol |
| Topological Polar Surface Area: | 17.1 Ų |
| Heavy Atom Count: | 7 |
| Formal Charge: | 0 |
| Complexity: | 64.6 |
| Isotope Atom Count: | 0 |
| Defined Atom Stereocenter Count: | 0 |
| Undefined Atom Stereocenter Count: | 0 |
| Defined Bond Stereocenter Count: | 0 |
| Undefined Bond Stereocenter Count: | 0 |
| Covalently-Bonded Unit Count: | 1 |
| Compound Is Canonicalized: | Yes |
| hazard signal | Danger |
| hazard classes and categories | |
| precautionary statement codes | P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 |
| hazard statements | |
| hazards summary | Methyl isobutyl ketone is used as a solvent for gums, resins, paints, varnishes, lacquers, and nitrocellulose. Acute (short-term) exposure to methyl isobutyl ketone may irritate the eyes and mucous membranes, and cause weakness, headache, nausea, lightheadedness, vomiting, dizziness, incoordination, narcosis in humans. Chronic (long-term) occupational exposure to methyl isobutyl ketone has been observed to cause nausea, headache, burning in the eyes, weakness, insomnia, intestinal pain, and slight enlargement of the liver in humans. Lethargy and kidney and liver effects have been observed in rats and mice chronically exposed by gavage (experimentally placing the chemical in the stomach), ingestion, and inhalation. EPA has classified methyl isobutyl ketone as a Group D, not classifiable as to human carcinogenicity.MIBK is in the list of Some volatile substances which may be abused by inhalation published on the web site of the U.N. International Drug Control Programme, indicating its potential to cause narcosis in workers. Fatty livers are observed in guinea pigs exposed to lethal concentrations (28,000 ppm). TLV basis is eye and respiratory tract irritation and kidney damage. |
