4-methoxynaphthalen-1-ol

• ChemBase ID: 87215
• Molecular Formular: C11H10O2
• Molecular Mass: 174.1959
• Monoisotopic Mass: 174.06807956
• SMILES: Oc1ccc(c2ccccc12)OC
• Canonical SMILES: COc1ccc(c2c1cccc2)O
• InChI: InChI=1S/C11H10O2/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7,12H,1H3
• InChIKey: BOTGCZBEERTTDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxynaphthalen-1-ol
• IUPAC Traditional name: 4-methoxynaphthalen-1-ol
• Synonyms: 4-Methoxy-1-naphthol 98%; 4-METHOXY-1-NAPHTHOL; 1-Hydroxy-4-methoxynaphthalene; 4-Methoxy-1-naphthol; 1-羟基-4-甲氧基萘; 4-甲氧基-1-萘酚

Database IDs

• CAS Number: 84-85-5
• EC Number: 201-566-3
• MDL Number: MFCD00003976
• Beilstein Number: 1818465
• PubChem SID: 24850485; 162074331
• PubChem CID: 66542

CALCULATED PROPERTIES

• Acid pKa: 9.566378
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5014489
• LogD (pH = 7.4): 2.4985523
• Log P: 2.501486
• Molar Refractivity: 50.9523 cm^3
• Polarizability: 21.001003 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 126-129 °C(lit.); 128-130°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 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: ≥97%; 98+%
• Linear Formula: CH3OC10H6OH

DETAILS

MP Biomedicals - 05221926

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 174556

Packaging
5, 25 g in glass bottle