ethoxybenzene

• ChemBase ID: 110849
• Molecular Formular: C8H10O
• Molecular Mass: 122.1644
• Monoisotopic Mass: 122.07316494
• SMILES: CCOc1ccccc1
• Canonical SMILES: CCOc1ccccc1
• InChI: InChI=1S/C8H10O/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3
• InChIKey: DLRJIFUOBPOJNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethoxybenzene
• IUPAC Traditional name: phenyl ethyl alcohol
• Synonyms: Ethoxybenzene; Ethyl phenyl ether; Ethoxybenzene; Phenetole; Ethyl phenyl ether; PHENETOLE; Phenetole; 乙基苯基醚; 乙氧基苯; 苯乙醚; 乙氧基苯; 苯乙醚

Database IDs

• CAS Number: 103-73-1
• EC Number: 203-139-7
• MDL Number: MFCD00009090
• Beilstein Number: 636270
• Merck Index: 147229
• PubChem SID: 24854525; 162097049
• PubChem CID: 7674
• CHEMBL: 499585
• Chemspider ID: 7391
• Wikipedia Title: Ethyl_phenyl_ether

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1723826
• LogD (pH = 7.4): 2.1723826
• Log P: 2.1723826
• Molar Refractivity: 37.2698 cm^3
• Polarizability: 14.704768 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -30 °C(lit.); -30.0°C; -30°C
• Boiling Point: 168°C; 169-170 °C(lit.); 169-170°C; 171°C
• Flash Point: 134.6 °F; 57 °C; 57°C(134°F)
• Density: 0.966 g/mL at 25 °C(lit.); 0.967; 0.967 g/ml
• Refractive Index: 1.5070; n20/D 1.507(lit.)

Safety Information

• RTECS: SI7700000
• UN Number: 1993; UN3271
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 3; III
• TSCA Listed: 是
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H226
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: 98+%; 99%
• Linear Formula: C6H5OC2H5

DETAILS

MP Biomedicals - 05216554

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 241989

Packaging
5, 100, 500 mL in glass bottle