1-ethyl-4-methoxybenzene

• ChemBase ID: 295159
• Molecular Formular: C9H12O
• Molecular Mass: 136.19098
• Monoisotopic Mass: 136.088815
• SMILES: CCc1ccc(cc1)OC
• Canonical SMILES: CCc1ccc(cc1)OC
• InChI: InChI=1S/C9H12O/c1-3-8-4-6-9(10-2)7-5-8/h4-7H,3H2,1-2H3
• InChIKey: HDNRAPAFJLXKBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-4-methoxybenzene
• IUPAC Traditional name: benzene, 1-ethyl-4-methoxy-
• Synonyms: 4-Ethylanisole; 1-Ethyl-4-Methoxybenzene; 4-乙基苯甲醚

Database IDs

• CAS Number: 1515-95-3
• MDL Number: MFCD00015176
• Beilstein Number: 774365
• PubChem SID: 180680690
• PubChem CID: 73690

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7735646
• LogD (pH = 7.4): 2.7735646
• Log P: 2.7735646
• Molar Refractivity: 42.1634 cm^3
• Polarizability: 16.4697 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 195°C
• Flash Point: 79°C(174°F)
• Density: 0.962
• Refractive Index: 1.5085

Safety Information

• TSCA Listed: 否
• GHS Hazard statements: H227
• GHS Precautionary statements: P210-P280-P370+P378A-P403+P235-P501A

Product Information

• Purity: 97%; 98+%