2-(hydroxymethyl)phenol

• ChemBase ID: 70029
• Molecular Formular: C7H8O2
• Molecular Mass: 124.13722
• Monoisotopic Mass: 124.0524295
• SMILES: C(c1c(cccc1)O)O
• Canonical SMILES: OCc1ccccc1O
• InChI: InChI=1S/C7H8O2/c8-5-6-3-1-2-4-7(6)9/h1-4,8-9H,5H2
• InChIKey: CQRYARSYNCAZFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(hydroxymethyl)phenol
• IUPAC Traditional name: Sal; saligenin
• Synonyms: o-HYDROXYBENZYL ALCOHOL; 2-Hydroxybenzyl alcohol; (2-Hydroxyphenyl)methanol; 2-(Hydroxymethyl)phenol; Saligenin; 2-Hydroxybenzyl alcohol; Salicyl alcohol; o-Hydroxybenzyl alcohol; SALIGENIN; 2-Hydroxybenzyl alcohol; Salicyl alcohol; 水杨醇; 邻羟基苄醇; 2-羟基苄醇; 2-羟基苯甲醇

Database IDs

• CAS Number: 90-01-7
• EC Number: 201-960-5
• MDL Number: MFCD00004617
• Beilstein Number: 1907195
• Merck Index: 148325
• PubChem SID: 162035754; 24879031; 24850189
• PubChem CID: 5146

CALCULATED PROPERTIES

• Acid pKa: 9.920814
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.90231436
• LogD (pH = 7.4): 0.9010317
• Log P: 0.90233076
• Molar Refractivity: 34.8548 cm^3
• Polarizability: 13.385925 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 83-85 °C(lit.); 83-87°C; 84 - 85°C; 84-86 °C
• Hydrophobicity(logP): 0.387

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: IRRITANT
• RTECS: DO6430000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (HPLC); 95%; 95+%; 98%; 99%
• Grade: purum
• Linear Formula: HOC6H4CH2OH

DETAILS

MP Biomedicals - 02156579

Crystalline
Purity: 98%

MP Biomedicals - 05210608

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 166952

Packaging
25, 100 g in poly bottle