72420

Methyl nicotinate

puriss., ≥99.0% (GC)

• Synonym(s): Nicotinic acid methyl ester
• Empirical Formula (Hill Notation): C₇H₇NO₂
• CAS Number: 93-60-7
• Molecular Weight: 137.14
• Beilstein/REAXYS Number: 113951
• EC Number: 202-261-8
• MDL number: MFCD00006388
• UNSPSC Code: 12352100
• PubChem Substance ID: 329764069
• NACRES: NA.22

Properties

• biological source: synthetic
• Quality Level: 100
• grade: puriss.
• assay: ≥99.0% (GC)
• form: powder or crystals (possibly with chunks)
• color: white to faint yellow
• bp: 204 °C (lit.)
• mp: 39-42 °C; 42-44 °C (lit.)
• solubility: H₂O: 0.1 g/mL, clear
• functional group: ester
• SMILES string: COC(=O)c1cccnc1
• InChI: 1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3
• InChI key: YNBADRVTZLEFNH-UHFFFAOYSA-N

Description

General description

Methyl nicotinate (or nicotinic acid methyl ester) is used as a rubefacient for the relief of pains in muscles, tendons, and joints. It is also used in food as a flavoring agent.

Application

Methyl nicotinate can be used as a precursor:

• In the asymmetric synthesis of 1-azasugars (glycosidase inhibitors) for biomedical applications.
• In the total synthesis of ±-sesbanine.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• ppe: dust mask type N95 (US), Eyeshields, Gloves