[3-(benzyloxy)phenyl]methanol

• ChemBase ID: 145553
• Molecular Formular: C14H14O2
• Molecular Mass: 214.25976
• Monoisotopic Mass: 214.09937969
• SMILES: c1ccc(cc1)COc1cccc(c1)CO
• Canonical SMILES: OCc1cccc(c1)OCc1ccccc1
• InChI: InChI=1S/C14H14O2/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h1-9,15H,10-11H2
• InChIKey: AFKLSWIRJUJWKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(benzyloxy)phenyl]methanol
• IUPAC Traditional name: [3-(benzyloxy)phenyl]methanol
• Synonyms: 3-Benzyloxybenzyl alcohol; (3-Benzyloxyphenyl)methanol; 3-(Phenylmethoxy)benzenemethanol; 3-Benzyloxybenzylic Alcohol; (3-(Benzyloxy)phenyl)methanol; 3-苯甲氧基苯甲醇; 3-苄氧基苯甲醇

Database IDs

• CAS Number: 1700-30-7
• EC Number: 216-931-2
• MDL Number: MFCD00004642
• PubChem SID: 162239758; 24851268
• PubChem CID: 74341

CALCULATED PROPERTIES

• Acid pKa: 14.938102
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.772698
• LogD (pH = 7.4): 2.772698
• Log P: 2.772698
• Molar Refractivity: 63.9497 cm^3
• Polarizability: 24.907064 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Light Yellow Oil
• Melting Point: 47-51°C; 48 °C(lit.)
• Flash Point: >110°C(230°F); >113 °C; >235.4 °F

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%
• Linear Formula: C6H5CH2OC6H4CH2OH

DETAILS

Sigma Aldrich - 187321

Packaging
2, 10 g in glass bottle