(4-ethoxyphenyl)methanol

• ChemBase ID: 112517
• Molecular Formular: C9H12O2
• Molecular Mass: 152.19038
• Monoisotopic Mass: 152.08372962
• SMILES: CCOc1ccc(CO)cc1
• Canonical SMILES: CCOc1ccc(cc1)CO
• InChI: InChI=1S/C9H12O2/c1-2-11-9-5-3-8(7-10)4-6-9/h3-6,10H,2,7H2,1H3
• InChIKey: UKFLLQIRBABMKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-ethoxyphenyl)methanol
• IUPAC Traditional name: (4-ethoxyphenyl)methanol
• Synonyms: 4-ETHOXY BENZYL ALCOHOL; 4-Ethoxybenzyl alcohol; 4-乙氧基苄醇; 对乙氧基苯甲醇

Database IDs

• CAS Number: 6214-44-4
• EC Number: 228-283-8
• MDL Number: MFCD00004655
• PubChem SID: 24851438; 162098305
• PubChem CID: 80345

CALCULATED PROPERTIES

• Acid pKa: 15.02168
• 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: 17.140024 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 32-34 °C(lit.); 32-34°C
• Boiling Point: 272-274°C; 273 °C(lit.)
• Flash Point: >110°C(230°F); >113 °C; >235.4 °F
• Refractive Index: 1.5320; n20/D 1.535(lit.)

Safety Information

• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%
• Linear Formula: C2H5OC6H4CH2OH

DETAILS

MP Biomedicals - 05224498

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 190470

Packaging
10 g in glass bottle