2-methoxy-1,2-diphenylethan-1-one

• ChemBase ID: 75392
• Molecular Formular: C15H14O2
• Molecular Mass: 226.27046
• Monoisotopic Mass: 226.09937969
• SMILES: O=C(c1ccccc1)C(c1ccccc1)OC
• Canonical SMILES: COC(C(=O)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C15H14O2/c1-17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11,15H,1H3
• InChIKey: BQZJOQXSCSZQPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-1,2-diphenylethan-1-one
• IUPAC Traditional name: 2-methoxy-1,2-diphenylethanone
• Synonyms: 2-Methoxy-2-phenylacetophenone; 1,2-Diphenyl-2-methoxyethan-1-one; α-Methoxy-α-phenylacetophenone; Benzoin methyl ether; alpha-Methoxy-alpha-phenylacetophenone; Benzoin methyl ether; 2-Methoxy-2-phenylacetophenone; 2-甲氧基-1,2-二苯基乙酮; 2-甲氧基-2-苯基乙酰苯; 安息香甲基醚; 安息香甲醚; 安息香甲基醚; 2-甲氧基-2-苯基苯乙酮

Database IDs

• CAS Number: 3524-62-7
• EC Number: 222-538-7
• MDL Number: MFCD00008492
• Beilstein Number: 2052112
• Merck Index: 141093
• PubChem SID: 24892090; 24847654; 24871610; 162040310
• PubChem CID: 98097

CALCULATED PROPERTIES

• Acid pKa: 16.15918
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2932012
• LogD (pH = 7.4): 3.2932012
• Log P: 3.2932012
• Molar Refractivity: 67.2721 cm^3
• Polarizability: 26.200123 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder
• Melting Point: 46-50°C; 47.5-48.5 °C(lit.); 47.5-48.5°C; 47-50 °C
• Boiling Point: 188-189°C/15mm; 47-50°C
• Flash Point: >110°C(230°F); 110 °C; 110°C; 230 °F
• Density: 1.128

Safety Information

• Storage Warning: Toxic
• RTECS: AM9350000
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 22
• Safety Statements: 22-24/25; 36
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301
• GHS Precautionary statements: P264-P270-P301+P310-P321-P405-P501A; P301 + P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: ≥98.0% (GC); 96%; 97%; 99%
• Grade: purum
• Linear Formula: C6H5CH(OCH3)COC6H5

DETAILS

Sigma Aldrich - B8703

Application
Photoinitiator.
Other Notes
remainder benzoin
Packaging
100 g in glass bottle

Sigma Aldrich - 479314

Packaging
25, 100 g in glass bottle