Ethyl 2-methylnicotinate (HCID 74401)

Names & identifiers

Preferred name: Ethyl 2-methylnicotinate
IUPAC: ethyl 2-methylpyridine-3-carboxylate
English name: Ethyl 2-methylnicotinate
Molecular formula: C9H11NO2
Molecular weight: 165.19

Names & synonyms

Ethyl 2-methylnicotinate1721-26-2Ethyl 2-methylpyridine-3-carboxylate3-Pyridinecarboxylic acid, 2-methyl-, ethyl esterF7SS2LF4HTEINECS 217-013-4DTXSID80169205NSC-521051ETHYL 2-METHYL-3-PYRIDINECARBOXYLATENSC 521051RefChem:138625DTXCID5091696

Show more names

2-methylnicotin ethyl esterEthyl 2-methylnicotiteethyle2-methylnicotinateEthyl 2-methylinicotinateEthyl2-Methylnicotinate>Ethyl2-methylnicotinate,97%Ethyl 2-methylnicotinate 98%

217-013-4TZORNSWZUZDUCU-UHFFFAOYSA-N2-Methylnicotinic Acid Ethyl Ester2-Methyl-nicotinic acid ethyl esterMFCD00006336Ethyl2-methylnicotinateUNII-F7SS2LF4HTSCHEMBL109206

Database identifiers

CAS: 1721-26-2
PubChem CID: 74401
DTXSID: DTXSID80169205
ChEMBL: CHEMBL217217
UNII: F7SS2LF4HT
EC Number: 217-013-4
Nikkaji: J149.516J

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 39.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 159

Physicochemical properties

Melting point: 146 · 146-147 °C
Boiling point: 126 · 126-127 °C24 mm Hg(lit.)
Density: 1.072 g/mL · 1.072 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.505(lit.)
Flash point: 217 °F · 217 °F
storage temp.: Inert atmosphere,Room Temperature
pka: 4.02 · 4.02±0.10(Predicted)
form: Liquid
color: Clear colorless to orange
Water Solubility: Slightly soluble in water.
λmax: 268 nm · 268nm(EtOH)(lit.)
BRN: 118200 · 118200
InChI: InChI=1S/C9H11NO2/c1-3-12-9(11)8-5-4-6-10-7(8)2/h4-6H,3H2,1-2H3
InChIKey: TZORNSWZUZDUCU-UHFFFAOYSA-N
SMILES: C1(C)=NC=CC=C1C(OCC)=O
CAS DataBase Reference: 1721 · 1721-26-2(CAS DataBase Reference)
FDA UNII: 7 SS2LF4HT · F7SS2LF4HT
NIST Chemistry Reference: 2 · Ethyl 2-methylnicotinate(1721-26-2)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P305+P351+P338
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
HS Code: 29333990 · 29333990
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (90.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (90.7%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 29333990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
Storage Class: 10 - Combustible liquids
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P305+P351+P338

Chemistry & industry

Applications

UsesEthyl 2-methylpyridine-3-carboxylate was used in the preparation of amino esters such as ethyl 2(piperidinylaminomethyl)benzoate, ethyl 2-(N-benzyl-N-methylaminomethyl)benzoate, ethyl 2-(diethylaminomethyl)benzoate.