- Name
Methyl nicotinate
- EINECS202-261-8
- CAS No.
93-60-7
- Density1.137 g/cm3
- PSA39.19000
- LogP0.86820
- SolubilityNEGLIGIBLE
- Melting Point42-44 °C(lit.)
- FormulaC7H7NO2
- Boiling Point209 °C at 760 mmHg
- Molecular Weight137.138
- Flash Point95.6 °C
- Transport InformationN/A
- Appearancewhite to brownish crystals or crystalline powder
- Safety26-36-37/39
- Risk Codes36/37/38-36/38
- Molecular Structure
- Hazard SymbolsXi
- SynonymsXi
- Article Data131
Methyl nicotinate Synthetic route
Methyl nicotinate Chemical Properties
IUPAC Name: Methyl pyridine-3-carboxylate
Canonical SMILES: COC(=O)C1=CN=CC=C1
InChI: InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3
InChIKey: YNBADRVTZLEFNH-UHFFFAOYSA-N
Molecular Weight: 137.13598 [g/mol]
Molecular Formula: C7H7NO2
XLogP3: 0.8
H-Bond Donor: 0
H-Bond Acceptor: 3
solubility: H2O: 0.1 g/mL, clear
Water Solubility: NEGLIGIBLE
Appearance: white to brownish crystals or crystalline powder
Melting Point: 42-44 °C(lit.)
EINECS: 202-261-8
Index of Refraction: 1.511
Molar Refractivity: 36.11 cm3
Molar Volume: 120.5 cm3
Surface Tension: 41.6 dyne/cm
Density: 1.137 g/cm3
Flash Point: 95.6 °C
Enthalpy of Vaporization: 44.53 kJ/mol
Boiling Point: 209 °C at 760 mmHg
Vapour Pressure: 0.208 mmHg at 25 °C
Product Categories of Methyl nicotinate (CAS NO.93-60-7): Heterocyclic Compounds; Pharmaceutical Intermediates
Methyl nicotinate Uses
Methyl nicotinate (CAS NO.93-60-7) is used in the preparation of rubefacient. Nicotinic acid methyl ester(93-60-7) is available for biochemical study.
Methyl nicotinate Toxicity Data With Reference
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
mouse | LD | subcutaneous | > 1gm/kg (1000mg/kg) | | "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 428, 1948. |
mouse | LDLo | parenteral | 2gm/kg (2000mg/kg) | | "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 7, Pg. 691, 1955. |
Methyl nicotinate Consensus Reports
Reported in EPA TSCA Inventory.
Methyl nicotinate Safety Profile
Moderately toxic by parenteral route. When heated to decomposition it emits toxic fumes of NOx.
Hazard Codes: Xi
Risk Statements: 36/37/38-36/38
36/37/38: Irritating to eyes, respiratory system and skin
36/38: Irritating to eyes and skin
Safety Statements: 26-36-37/39
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37/39: Wear suitable gloves and eye/face protection
WGK Germany: 3
RTECS: QT1925000
Methyl nicotinate Specification
Methyl nicotinate (CAS NO.93-60-7), its Synonyms are 3-(Carbomethoxy)pyridine ; 3-(Methoxycarbonyl)pyridine ; 3-Pyridinecarboxylic acid, methyl ester ; Methyl 3-pyridinecarboxylate ; Methyl-nicotinate ; Nicometh ; Nicotinic acid, methyl ester ; Nikomet ; m-(Methoxycarbonyl)pyridine .