2,6-dimethoxynaphthalene

• ChemBase ID: 149748
• Molecular Formular: C12H12O2
• Molecular Mass: 188.22248
• Monoisotopic Mass: 188.08372962
• SMILES: COc1ccc2cc(ccc2c1)OC
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)OC
• InChI: InChI=1S/C12H12O2/c1-13-11-5-3-10-8-12(14-2)6-4-9(10)7-11/h3-8H,1-2H3
• InChIKey: AHKDVDYNDXGFPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethoxynaphthalene
• IUPAC Traditional name: 2,6-dimethoxynaphthalene
• Synonyms: 2,6-Dimethoxynaphthalene; 2,6-dimethoxyNaphthalene; 2,6-dimethoxy naphthalene; 2,6-二甲氧基萘

Database IDs

• CAS Number: 5486-55-5
• EC Number: 226-816-9
• MDL Number: MFCD00004063
• PubChem SID: 162243910; 24893266
• PubChem CID: 79627

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.64738
• LogD (pH = 7.4): 2.64738
• Log P: 2.64738
• Molar Refractivity: 55.4346 cm^3
• Polarizability: 22.91625 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 152.5-153.5 °C(lit.); 152-154°C

Safety Information

• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%; 99%
• Linear Formula: C10H6(OCH3)2

DETAILS

Sigma Aldrich - D134856

Packaging
1, 5 g in glass bottle