3-Methylphenylacetic acid
Synonym(s):3-Methylphenylacetic acid
- CAS NO.：621-36-3
- Empirical Formula: C9H10O2
- Molecular Weight: 150.17
- MDL number: MFCD00004340
- EINECS: 210-683-9
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-08-11 17:51:29
What is 3-Methylphenylacetic acid?
Chemical properties
colorless to off-white shiny flakes and chunks
The Uses of 3-Methylphenylacetic acid
m-Tolylacetic acid is used as a reactant in the diastereoselective preparation of arylmethylene-isoindolinones.
Definition
ChEBI: A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 3-methylphenyl group.
Properties of 3-Methylphenylacetic acid
| Melting point: | 64-66 °C(lit.) |
| Boiling point: | 231.72°C (rough estimate) |
| Density | 1.0858 (rough estimate) |
| refractive index | 1.5002 (estimate) |
| pka | 4.30±0.10(Predicted) |
| form | Shiny Flakes and Chunks |
| color | Colorless to off-white |
| Water Solubility | Soluble in water. |
| BRN | 2043549 |
| InChI | InChI=1S/C9H10O2/c1-7-3-2-4-8(5-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11) |
| CAS DataBase Reference | 621-36-3(CAS DataBase Reference) |
| NIST Chemistry Reference | m-Tolylacetic acid(621-36-3) |
Safety information for 3-Methylphenylacetic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. 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 cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for 3-Methylphenylacetic acid
| InChIKey | GJMPSRSMBJLKKB-UHFFFAOYSA-N |
| SMILES | C1(CC(O)=O)=CC=CC(C)=C1 |
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