(2-phenoxyethoxy)benzene

• ChemBase ID: 149016
• Molecular Formular: C14H14O2
• Molecular Mass: 214.25976
• Monoisotopic Mass: 214.09937969
• SMILES: c1ccc(cc1)OCCOc1ccccc1
• Canonical SMILES: C(Oc1ccccc1)COc1ccccc1
• InChI: InChI=1S/C14H14O2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10H,11-12H2
• InChIKey: XCSGHNKDXGYELG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-phenoxyethoxy)benzene
• IUPAC Traditional name: 1,2-diphenoxyethane
• Synonyms: 1,2-Diphenoxyethane; Ethylene glycol diphenyl ether; 1,2-Diphenoxyethane; 1,2-二苯氧乙烷; 乙二醇二苯醚; 1,2-二苯氧基乙烷

Database IDs

• CAS Number: 104-66-5
• EC Number: 203-224-9
• MDL Number: MFCD00003039
• Beilstein Number: 2052248
• PubChem SID: 162243185; 24848463
• PubChem CID: 7713

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.459624
• LogD (pH = 7.4): 3.459624
• Log P: 3.459624
• Molar Refractivity: 63.0734 cm^3
• Polarizability: 24.978003 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 94-96 °C(lit.); 94-96°C; 95-99 °C

Safety Information

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

Product Information

• Purity: ≥99.0% (GC); 98%; 99%
• Grade: purum
• Linear Formula: C6H5OCH2CH2OC6H5

DETAILS

Sigma Aldrich - 140287

Packaging
5 g in glass bottle