2-ethoxyphenol

• ChemBase ID: 147502
• Molecular Formular: C8H10O2
• Molecular Mass: 138.1638
• Monoisotopic Mass: 138.06807956
• SMILES: CCOc1ccccc1O
• Canonical SMILES: CCOc1ccccc1O
• InChI: InChI=1S/C8H10O2/c1-2-10-8-6-4-3-5-7(8)9/h3-6,9H,2H2,1H3
• InChIKey: MOEFFSWKSMRFRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxyphenol
• IUPAC Traditional name: O-ethoxyphenol
• Synonyms: Guaethol; Pyrocatechol monoethyl ether; 2-Ethoxyphenol; Catechol monoethyl ether; 2-Ethoxyphenol; 2-羟基苯乙醚; 邻苯二酚单乙基醚; 邻乙氧基苯酚; 2-乙氧基苯酚

Database IDs

• CAS Number: 94-71-3
• EC Number: 202-358-5
• MDL Number: MFCD00002187
• Beilstein Number: 1100453
• PubChem SID: 162241690; 24855081; 24849793
• PubChem CID: 66755

CALCULATED PROPERTIES

• Acid pKa: 9.964423
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8688024
• LogD (pH = 7.4): 1.8676425
• Log P: 1.8688172
• Molar Refractivity: 39.2507 cm^3
• Polarizability: 15.2901945 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 20-25 °C(lit.); 24-27°C
• Boiling Point: 214-216°C; 216-217 °C(lit.)
• Flash Point: 195.8 °F; 86°C(187°F); 91 °C
• Density: 1.09 g/mL at 25 °C(lit.); 1.10
• Refractive Index: n20/D 1.529(lit.)

Safety Information

• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/38; 22-37/38-41
• Safety Statements: 26-36/37; 26-36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335; H302-H315-H319
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P280H-P305+P351+P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥98.0% (GC); 98%
• Grade: purum
• Linear Formula: C2H5OC6H4OH

DETAILS

Sigma Aldrich - 250910

Packaging
5, 100, 500 g in glass bottle