(2-ethoxyphenyl)methanol

• ChemBase ID: 148130
• Molecular Formular: C9H12O2
• Molecular Mass: 152.19038
• Monoisotopic Mass: 152.08372962
• SMILES: CCOc1ccccc1CO
• Canonical SMILES: CCOc1ccccc1CO
• InChI: InChI=1S/C9H12O2/c1-2-11-9-6-4-3-5-8(9)7-10/h3-6,10H,2,7H2,1H3
• InChIKey: ICJVQAHPHKYCNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-ethoxyphenyl)methanol
• IUPAC Traditional name: (2-ethoxyphenyl)methanol
• Synonyms: 2-Ethoxybenzyl alcohol; 邻乙氧基苯甲醇; 2-乙氧基苄醇

Database IDs

• CAS Number: 71672-75-8
• EC Number: 275-811-8
• MDL Number: MFCD00004616
• Beilstein Number: 2555374
• PubChem SID: 162242307; 24851453
• PubChem CID: 51381

CALCULATED PROPERTIES

• Acid pKa: 14.706563
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4050328
• LogD (pH = 7.4): 1.4050328
• Log P: 1.4050328
• Molar Refractivity: 44.0857 cm^3
• Polarizability: 17.140339 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 263-265°C; 265 °C(lit.)
• Flash Point: >110°C(230°F); >113 °C; >235.4 °F
• Density: 1.074; 1.074 g/mL at 25 °C(lit.)
• Refractive Index: 1.5320; n20/D 1.532(lit.)

Safety Information

• RTECS: DO5467000
• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: 98%
• Linear Formula: C2H5OC6H4CH2OH

DETAILS

Sigma Aldrich - 190667

Packaging
5 g in glass bottle