4-ethoxyphenol

• ChemBase ID: 108275
• Molecular Formular: C8H10O2
• Molecular Mass: 138.1638
• Monoisotopic Mass: 138.06807956
• SMILES: CCOc1ccc(O)cc1
• Canonical SMILES: CCOc1ccc(cc1)O
• InChI: InChI=1S/C8H10O2/c1-2-10-8-5-3-7(9)4-6-8/h3-6,9H,2H2,1H3
• InChIKey: LKVFCSWBKOVHAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxyphenol
• IUPAC Traditional name: P-ethoxyphenol
• Synonyms: Hydroquinone monoethyl ether; 4-Ethoxyphenol; HYDROQUINONE MONO ETHYL ETHER; 4-乙氧基苯酚; 氢醌单乙醚; 对乙氧基苯酚

Database IDs

• CAS Number: 622-62-8
• EC Number: 210-748-1
• MDL Number: MFCD00002334
• Beilstein Number: 1907114
• PubChem SID: 24855650; 162095624
• PubChem CID: 12150
• FEMA ID: 3695
• Flavis Number: 4.037

CALCULATED PROPERTIES

• Acid pKa: 9.930921
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8688011
• LogD (pH = 7.4): 1.867547
• Log P: 1.8688172
• Molar Refractivity: 39.2507 cm^3
• Polarizability: 15.287765 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 64-67 °C(lit.); 64-67°C
• Boiling Point: 121 °C/9 mmHg(lit.); 121°C/9mm

Safety Information

• RTECS: SL3790000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280G-P305+P351+P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99%
• Linear Formula: C2H5OC6H4OH

DETAILS

MP Biomedicals - 05206755

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 258598

Packaging
5, 25 g in glass bottle