4-Methoxy-2,3,5-trimethylpyridine

HCID 127899

Notes Reactions

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Basic information

CAS: 109371-19-9
Standard SMILES: COc1c(C)cnc(C)c1C
InChIKey: LELDJUYQEMKHJH-UHFFFAOYSA-N
Molecular formula: C9H13NO
Average molar mass: 151.21 g/mol
Monoisotopic mass: 151.09971404

Names & identifiers

Preferred name: 4-Methoxy-2,3,5-trimethylpyridine
IUPAC: 4-methoxy-2,3,5-trimethylpyridine
English name: 4-methoxy-2,3,5-trimethylpyridine
Molecular formula: C9H13NO
Molecular weight: 151.21

Names & synonyms

4-Methoxy-2,3,5-trimethylpyridine109371-19-94-MetmpPyridine, 4-methoxy-2,3,5-trimethyl-DTXSID40148915RefChem:99567DTXCID1071406Pyridine,4-methoxy-2,3,5-trimethyl-2-Hydromethyl-3,5-dimethyl-4-methoxypyridineMFCD12964312Omeprazole Impurity 82Esomeprazole Impurity 116

Show more names

Esomeprazole Impurity 112Omeprazole Related Compound 2Omeprazole Related Compound 2 (4-Methoxy-2, 3, 5-Trimethylpyridine)

SCHEMBL94922SCHEMBL94923Omeprazole related impurities 2LELDJUYQEMKHJH-UHFFFAOYSA-N4-methoxy-2,3,5-trimethyl-pyridineAKOS027326425AS-17264FM171840

Database identifiers

CAS: 109371-19-9
PubChem CID: 127899
DTXSID: DTXSID40148915
EC Number: 600-915-0
Nikkaji: J900.434C

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 22.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 127

Physicochemical properties

Boiling point: 227.2 · 227.2±35.0 °C(Predicted)
Density: 0.972 · 0.972±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 7.83 · 7.83±0.28(Predicted)
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H315-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Applications

Uses4-Methoxy-2,3,5-trimethylpyridine is a reagent in the synthesis of Omeprazole, which is a proton pump inhibitor used for the reduction of stomach acids.