(tert-butoxy)benzene

• ChemBase ID: 296516
• Molecular Formular: C10H14O
• Molecular Mass: 150.21756
• Monoisotopic Mass: 150.10446507
• SMILES: CC(C)(C)Oc1ccccc1
• Canonical SMILES: CC(Oc1ccccc1)(C)C
• InChI: InChI=1S/C10H14O/c1-10(2,3)11-9-7-5-4-6-8-9/h4-8H,1-3H3
• InChIKey: PNKZBZPLRKCVLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (tert-butoxy)benzene
• IUPAC Traditional name: benzene, (1,1-dimethylethoxy)-
• Synonyms: tert-Butoxybenzene; tert-Butyl phenyl ether; 叔丁基苯醚

Database IDs

• CAS Number: 6669-13-2
• MDL Number: MFCD00049018
• PubChem SID: 180682047
• PubChem CID: 81179

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8695343
• LogD (pH = 7.4): 2.8695343
• Log P: 2.8695343
• Molar Refractivity: 46.3268 cm^3
• Polarizability: 18.397589 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 184°C
• Density: 0.924
• Refractive Index: 1.4885

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%