2-(2-hydroxyethyl)phenol

• ChemBase ID: 147715
• Molecular Formular: C8H10O2
• Molecular Mass: 138.1638
• Monoisotopic Mass: 138.06807956
• SMILES: c1ccc(c(c1)CCO)O
• Canonical SMILES: OCCc1ccccc1O
• InChI: InChI=1S/C8H10O2/c9-6-5-7-3-1-2-4-8(7)10/h1-4,9-10H,5-6H2
• InChIKey: ABFCOJLLBHXNOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-hydroxyethyl)phenol
• IUPAC Traditional name: 2-(2-hydroxyethyl)phenol
• Synonyms: 2-Hydroxyphenethyl alcohol; 2-(2-Hydroxyethyl)phenol; 2-羟基苯乙醇

Database IDs

• CAS Number: 7768-28-7
• EC Number: 231-863-3
• MDL Number: MFCD00002890
• PubChem SID: 24851310; 162241900
• PubChem CID: 82200

CALCULATED PROPERTIES

• Acid pKa: 10.173152
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.1909828
• LogD (pH = 7.4): 1.1902645
• Log P: 1.1909919
• Molar Refractivity: 39.6098 cm^3
• Polarizability: 15.154211 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 168-169 °C/2 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 1.159 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.559(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 2
• Risk Statements: 22-41
• Safety Statements: 26-37/39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H318
• GHS Precautionary statements: P280-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%; 99%
• Linear Formula: HOC6H4CH2CH2OH

DETAILS

Sigma Aldrich - 188247

Packaging
5 g in glass bottle