SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H301:Acute toxicity,oral H334:Sensitisation, respiratory H412:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P273:Avoid release to the environment. P285:In case of inadequate ventilation wear respiratory protection. P304+P341:IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing. P342+P311:IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician. P405:Store locked up. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 116.11 g/mol |
|---|---|
| XLogP3 | 0.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 116.047344113 g/mol |
| Monoisotopic Mass | 116.047344113 g/mol |
| Topological Polar Surface Area | 54.4 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 117 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-methylacetoacetic acid is a 3-oxo monocarboxylic acid that is acetoacetic acid which is substituted at position 2 by a methyl group. It is functionally related to a butyric acid and an acetoacetic acid. It is a conjugate acid of a 2-methylacetoacetate.