6-methoxy-1,2,3,4-tetrahydronaphthalene

• ChemBase ID: 137407
• Molecular Formular: C11H14O
• Molecular Mass: 162.22826
• Monoisotopic Mass: 162.10446507
• SMILES: COc1ccc2c(c1)CCCC2
• Canonical SMILES: COc1ccc2c(c1)CCCC2
• InChI: InChI=1S/C11H14O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h6-8H,2-5H2,1H3
• InChIKey: SUFDFKRJYKNTFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-1,2,3,4-tetrahydronaphthalene
• IUPAC Traditional name: 2-methoxy-5,6,7,8-tetrahydronaphthalene
• Synonyms: 6-Methoxy-1,2,3,4-tetrahydronaphthalene; 6-甲氧基-1,2,3,4-四氢萘

Database IDs

• CAS Number: 1730-48-9
• EC Number: 217-049-0
• MDL Number: MFCD00001737
• PubChem SID: 24851043; 162231670
• PubChem CID: 74414

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2678287
• LogD (pH = 7.4): 3.2678287
• Log P: 3.2678287
• Molar Refractivity: 50.0034 cm^3
• Polarizability: 19.342024 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 90-95 °C/1 mmHg(lit.)
• Flash Point: >113 °C; >235.4 °F
• Density: 1.033 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.54(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: 85%
• Grade: technical grade
• Empirical Formula (Hill Notation): C11H14O