Ethyl 6-methylpyridine-2-carboxylate

HCID 564597

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Basic information

CAS: 39640-51-2
Standard SMILES: CCOC(=O)c1cccc(C)n1
InChIKey: FMSXHQBTRLUYHP-UHFFFAOYSA-N
Molecular formula: C9H11NO2
Average molar mass: 165.19 g/mol
Monoisotopic mass: 165.07897859

Names & identifiers

Preferred name: Ethyl 6-methylpyridine-2-carboxylate
IUPAC: ethyl 6-methylpyridine-2-carboxylate
English name: 6-methyl-pyridine-2-carboxylic acid ethyl ester
Molecular formula: C9H11NO2
Molecular weight: 165.19

Names & synonyms

Ethyl 6-methylpyridine-2-carboxylate39640-51-2DTXSID30340421RefChem:138849DTXCID502915022-Pyridinecarboxylic acid, 6-methyl-, ethyl ester609-732-0FMSXHQBTRLUYHP-UHFFFAOYSA-Nethyl 6-methylpicolinate6-Methylpyridine-2-carboxylic acid ethyl esterMFCD034271286-Methyl-pyridine-2-carboxylic acid ethyl ester

Show more names

104455Ethyl 6-methylpyridine-2-carboxylate 97%ETHYL 6-METHYL-2-PYRIDINECARBOXYLATE 9&6-Methyl-ALPHA-picolinic acid ethyl ester6-Methylpyridin-2-carboxylic acid ethyl ester6-methyl-2-pyridinecarboxylic acidethyl ester

AKOS0051571096-Methylpyridine-2-carboxylicacidethylesterCS-0327462ethyl-6-methylpyridinecarboxylateethyl 64-(CYANOMETHYL)PHENYL2-CHLORONICOTINATESCHEMBL109583SCHEMBL128986

Database identifiers

CAS: 39640-51-2
PubChem CID: 564597
DTXSID: DTXSID30340421
EC Number: 609-732-0
Nikkaji: J1.413.267H

Properties

Computed structural properties

XLogP: 1.8
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

Boiling point: 122 · 122-126 °C/10 mmHg(lit.)
Density: 1.083 g/mL · 1.083 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.5090(lit.)
pka: 2.06 · 2.06±0.10(Predicted)
InChI: 1S/C9H11NO2/c1-3-12-9(11)8-6-4-5-7(2)10-8/h4-6H,3H2,1-2H3
InChIKey: FMSXHQBTRLUYHP-UHFFFAOYSA-N
SMILES: CCOC(=O)c1cccc(C)n1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.