Benzilic acid
- CAS No.
- 76-93-7
- Chemical Name:
- Benzilic acid
- Synonyms
- benzilic;BENZILIC ACID;Benzylic acid;BENZILLIC ACID;TIMTEC-BB SBB003299;BENZILIC ACID, 99+%;DIPHENYLGLYCOLIC ACID;Diphenylglycollicacid;Trospium EP Impurity A;Diphenylethanolic acid
- CBNumber:
- CB2179830
- Molecular Formula:
- C14H12O3
- Molecular Weight:
- 228.25
- MDL Number:
- MFCD00004447
- MOL File:
- 76-93-7.mol
- MSDS File:
- SDS
| Melting point | 149-151 °C(lit.) |
|---|---|
| Boiling point | 180 °C |
| Density | 1.28 |
| refractive index | 1.5805 (estimate) |
| Flash point | 180°C/22mm |
| storage temp. | Store below +30°C. |
| solubility | 1.41g/l (experimental) |
| form | Powder |
| pka | pKa (25°): 3.036 |
| color | White to cream-white |
| Water Solubility | 1.41 g/L (25 ºC) |
| Merck | 14,1080 |
| BRN | 521402 |
| Stability | Stable. Incompatible with strong oxidizing agents. Combustible. |
| LogP | 2.300 |
| CAS DataBase Reference | 76-93-7(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | 8F6J993XXR |
| NIST Chemistry Reference | Benzeneacetic acid, «alpha»-hydroxy-«alpha»-phenyl-(76-93-7) |
| EPA Substance Registry System | Benzilic acid (76-93-7) |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H302-H315-H319-H335 | |||||||||
| Precautionary statements | P280f-P403+P233-P405 | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 22-36/37/38-20/21/22 | |||||||||
| Safety Statements | 36-36/37/39-26 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | DD2064000 | |||||||||
| Autoignition Temperature | 530°C | |||||||||
| TSCA | Yes | |||||||||
| HS Code | 29181980 | |||||||||
| Hazardous Substances Data | 76-93-7(Hazardous Substances Data) | |||||||||
| Toxicity | LD50 orl-mus: 2 g/kg AIPTAK 116,154,58 | |||||||||
| NFPA 704 |
|
Benzilic acid Chemical Properties,Uses,Production
Chemical Properties
white powder
Uses
Benzilic Acid is an impurity of Trospium (T892800), a tropine derivative with anticholinergic activity and a antiispasmodic agent.
Definition
ChEBI: Benzilic acid is a 2-hydroxy monocarboxylic acid.
Synthesis Reference(s)
The Journal of Organic Chemistry, 29, p. 1631, 1964 DOI: 10.1021/jo01029a509
Safety Profile
Moderately toxic by subcutaneousroute. Slightly toxic by ingestion. When heated todecomposition it emits acrid smoke and irritating vapors.
Purification Methods
Crystallise benzilic acid from *benzene (ca 6mL/g), or hot H2O. [Beilstein 10 IV 1256.]