2-(2-hydroxyethoxy)phenol

• ChemBase ID: 90255
• Molecular Formular: C8H10O3
• Molecular Mass: 154.1632
• Monoisotopic Mass: 154.06299418
• SMILES: Oc1c(cccc1)OCCO
• Canonical SMILES: OCCOc1ccccc1O
• InChI: InChI=1S/C8H10O3/c9-5-6-11-8-4-2-1-3-7(8)10/h1-4,9-10H,5-6H2
• InChIKey: AMCOCUDBDKVWRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-hydroxyethoxy)phenol
• IUPAC Traditional name: 2-(2-hydroxyethoxy)phenol
• Synonyms: 2-(2-Hydroxyethoxy)phenol; 2-(2-Hydroxyethoxy)phenol; 2-(2-羟基乙氧基)苯酚

Database IDs

• CAS Number: 4792-78-3
• EC Number: 225-346-1
• MDL Number: MFCD00002858
• PubChem SID: 162077089; 24853935
• PubChem CID: 78519

CALCULATED PROPERTIES

• Acid pKa: 9.954148
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.8218921
• LogD (pH = 7.4): 0.82070446
• Log P: 0.8219072
• Molar Refractivity: 40.7944 cm^3
• Polarizability: 15.925634 Å^3
• Polar Surface Area: 49.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 99-100 °C(lit.); 99-100°C
• Boiling Point: 128 °C/0.7 mmHg(lit.); 128°C/0.7mm

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95+%; 98%
• Linear Formula: HOCH2CH2OC6H4OH

DETAILS

Sigma Aldrich - 232858

Packaging
50 g in poly bottle