C

Cocaine

IUPAC: methyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

C17H21NO4 Organic Compounds CAS 50-36-2
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Quick Reference
Formula / NotationC17H21NO4
CAS Number50-36-2
Molecular Weight303.35
Melting Point98 °C
Boiling PointBP: 187 °C at 0.1 mm Hg
Solubility1800 mg/L (at 22 °C)
AppearanceColorless to white solid; [Hawley]
Also Known Asmethyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate; Benzoylmethylecgonine; Neurocaine; L-Cocaine; Kokain; Cocain; (-)-Cocaine; Cocaina; beta-Cocain; Methyl Benzoylecgonine
CategoryOrganic Compounds

What is Cocaine?

Cocaine can cause developmental toxicity and female reproductive toxicity according to an independent committee of scientific and health experts.

Formula & Notation

C17H21NO4

IUPAC Name: methyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

Other Names / Synonyms: methyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate; Benzoylmethylecgonine; Neurocaine; L-Cocaine; Kokain; Cocain; (-)-Cocaine; Cocaina; beta-Cocain; Methyl Benzoylecgonine

Properties & Characteristics

Appearance: Colorless to white solid; [Hawley]. Molecular formula: C17H21NO4. Molecular weight: 303.35 g/mol. Boiling point: BP: 187 °C at 0.1 mm Hg. Melting point: 98 °C. Solubility: 1800 mg/L (at 22 °C). Vapor pressure: 0.00000019 [mmHg]. LogP: 2.3.

Physical Data

PropertyValue
Melting Point98 °C
Boiling PointBP: 187 °C at 0.1 mm Hg
Molecular Weight303.35
Solubility1800 mg/L (at 22 °C)
AppearanceColorless to white solid; [Hawley]

Uses & Applications

Used as an industrial feedstock, solvent, pharmaceutical intermediate, flavoring agent, or chemical building block.

Safety Information

Flammable or irritant. Many organic compounds are flammable liquids or vapours. Keep away from ignition sources. Consult SDS for specific hazard data.

Always consult the SDS/MSDS before handling any chemical. This information is for educational purposes only.

Key Facts

Term Cocaine
Formula C17H21NO4
CAS Number 50-36-2
Molecular Weight 303.35
Synonyms methyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate; Benzoylmethylecgonine; Neurocaine; L-Cocaine; Kokain; Cocain; (-)-Cocaine; Cocaina; beta-Cocain; Methyl Benzoylecgonine

Frequently Asked Questions

Cocaine can cause developmental toxicity and female reproductive toxicity according to an independent committee of scientific and health experts.

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Editorial standards: Chemical data is sourced from peer-reviewed literature, CAS Registry, NIST WebBook, and PubChem. Safety information reflects guidance from OSHA, ECHA, and IAEA. For educational purposes only — always consult official SDS documentation and qualified professionals before handling chemicals.