Benzoylecgonine
- CAS NO.：519-09-5
- Empirical Formula: C16H19NO4
- Molecular Weight: 289.33
- MDL number: MFCD00070263
- EINECS: 208-263-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-09-12 18:49:01
What is Benzoylecgonine?
Chemical properties
Crystalline Solid
The Uses of Benzoylecgonine
A metabolite of Cocaine. Controlled substance
Definition
ChEBI: A benzoate ester metabolite of cocaine formed by hydrolysis of the methyl ester group, catalysed by carboxylesterases.
Properties of Benzoylecgonine
| Melting point: | 1950C (dec) |
| Boiling point: | 431.49°C (rough estimate) |
| Density | 1.1267 (rough estimate) |
| refractive index | 1.5500 (estimate) |
| Flash point: | 11 °C |
| storage temp. | 2-8°C |
| solubility | DMF: 30 mg/ml; DMSO: 25 mg/ml; Ethanol: 30 mg/ml; PBS (pH 7.2): 3 mg/ml |
| form | A neat solid |
| pka | pKa 11.80 (Uncertain) |
| CAS DataBase Reference | 519-09-5 |
| EPA Substance Registry System | 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, (1R,2R,3S,5S)- (519-09-5) |
Safety information for Benzoylecgonine
| Signal word | Danger |
| Pictogram(s) |
 Flame Flammables GHS02  Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H225:Flammable liquids H301:Acute toxicity,oral H311:Acute toxicity,dermal H331:Acute toxicity,inhalation H370:Specific target organ toxicity, single exposure |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P311:Call a POISON CENTER or doctor/physician. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
Computed Descriptors for Benzoylecgonine
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![COCAINE, LEVO-[BENZOYL-3,4-3H(N)]-](https://img.chemicalbook.in/StructureFile/ChemBookStructure2/GIF/CB5417528.gif)
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