methyl 2-methoxypropanoate

• ChemBase ID: 302350
• Molecular Formular: C5H10O3
• Molecular Mass: 118.1311
• Monoisotopic Mass: 118.06299418
• SMILES: CC(C(=O)OC)OC
• Canonical SMILES: COC(=O)C(OC)C
• InChI: InChI=1S/C5H10O3/c1-4(7-2)5(6)8-3/h4H,1-3H3
• InChIKey: VABBJJOSOCPYIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-methoxypropanoate
• IUPAC Traditional name: methyl 2-methoxypropanoate
• Synonyms: 2-Methoxypropionic acid methyl ester; Methyl 2-methoxypropionate; 2-甲氧基丙酸甲酯

Database IDs

• CAS Number: 17639-76-8
• EC Number: 241-622-4
• MDL Number: MFCD00151664
• Beilstein Number: 1720819

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.31719103
• LogD (pH = 7.4): 0.31719103
• Log P: 0.31719103
• Molar Refractivity: 28.3601 cm^3
• Polarizability: 11.458225 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 43-44°C/15mm
• Flash Point: 36°C(96°F)
• Refractive Index: 1.3970

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: UN3272
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-36/37/38
• Safety Statements: 23-26-37
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 98%