1-ethoxy-2-methoxybenzene

• ChemBase ID: 151883
• Molecular Formular: C9H12O2
• Molecular Mass: 152.19038
• Monoisotopic Mass: 152.08372962
• SMILES: CCOc1ccccc1OC
• Canonical SMILES: CCOc1ccccc1OC
• InChI: InChI=1S/C9H12O2/c1-3-11-9-7-5-4-6-8(9)10-2/h4-7H,3H2,1-2H3
• InChIKey: OMONCKYJLBVWOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethoxy-2-methoxybenzene
• IUPAC Traditional name: 1-ethoxy-2-methoxybenzene
• Synonyms: 1-Ethoxy-2-methoxybenzene; 2-Ethoxyanisole; 邻乙氧基苯甲醚; 2-乙氧基苯甲醚

Database IDs

• CAS Number: 17600-72-5
• EC Number: 241-571-8
• MDL Number: MFCD00043552
• PubChem SID: 24861260; 162246029
• PubChem CID: 87170

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0147111
• LogD (pH = 7.4): 2.0147111
• Log P: 2.0147111
• Molar Refractivity: 43.733 cm^3
• Polarizability: 17.204742 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 217-218 °C(lit.)
• Flash Point: 195.8 °F; 91 °C
• Density: 1.044 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.524(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 41-52
• Safety Statements: 26-39
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H318
• GHS Precautionary statements: P280-P305 + P351 + P338

Product Information

• Purity: 98%
• Linear Formula: C2H5OC6H4OCH3

DETAILS

Sigma Aldrich - 344567

Packaging
25 g in glass bottle