[4-(dimethoxymethyl)phenyl]methanol

• ChemBase ID: 152311
• Molecular Formular: C10H14O3
• Molecular Mass: 182.21636
• Monoisotopic Mass: 182.09429431
• SMILES: COC(c1ccc(cc1)CO)OC
• Canonical SMILES: OCc1ccc(cc1)C(OC)OC
• InChI: InChI=1S/C10H14O3/c1-12-10(13-2)9-5-3-8(7-11)4-6-9/h3-6,10-11H,7H2,1-2H3
• InChIKey: QUWDMLYTJRQRRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(dimethoxymethyl)phenyl]methanol
• IUPAC Traditional name: [4-(dimethoxymethyl)phenyl]methanol
• Synonyms: 4-(Dimethoxymethyl)benzyl alcohol; 4-(Hydroxymethyl)benzaldehyde dimethyl acetal; 4-(二甲氧基甲基)苄醇; p-(二甲氧基甲基)苯乙醇

Database IDs

• CAS Number: 183057-64-9
• MDL Number: MFCD01863763
• Beilstein Number: 2577568
• PubChem SID: 24850305; 162246456
• PubChem CID: 3391102

CALCULATED PROPERTIES

• Acid pKa: 14.988824
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3605753
• LogD (pH = 7.4): 1.3605753
• Log P: 1.3605753
• Molar Refractivity: 50.2221 cm^3
• Polarizability: 19.683514 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 38-42 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• 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
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (GC)
• Empirical Formula (Hill Notation): C10H14O3

DETAILS

Sigma Aldrich - 17049

Other Notes
Linker employed for the immobilization of carbohydrates by acetalization and reacting the benzylic alcohol with a polymer1
Packaging
1 g in poly tube