(4-methoxyphenyl)(phenyl)methanone

• ChemBase ID: 89769
• Molecular Formular: C14H12O2
• Molecular Mass: 212.24388
• Monoisotopic Mass: 212.08372962
• SMILES: O=C(c1ccc(cc1)OC)c1ccccc1
• Canonical SMILES: COc1ccc(cc1)C(=O)c1ccccc1
• InChI: InChI=1S/C14H12O2/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10H,1H3
• InChIKey: SWFHGTMLYIBPPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methoxyphenyl)(phenyl)methanone
• IUPAC Traditional name: (4-methoxyphenyl)(phenyl)methanone
• Synonyms: 4-Methoxybenzophenone; (4-Methoxyphenyl)phenylmethanone; 4-Benzoylanisole; 4-Methoxybenzophenone; 4-Methoxyphenyl Phenyl Ketone; NSC 2194; Phenyl p-Anisyl Ketone; p-Benzoylanisole; p-Methoxybenzophenone; p-Methoxyphenyl Phenyl Ketone; 4-Methoxybenzophenone; 4-Methoxybenzophenone 98%; p-METHOXYBENZOPHENONE; (4-Methoxyphenyl)(phenyl)methanone; 4-甲氧基二苯甲酮; 4-甲氧基苯并苯基酮

Database IDs

• CAS Number: 611-94-9
• EC Number: 210-285-5
• MDL Number: MFCD00008403
• Beilstein Number: 1104713
• PubChem SID: 24896583; 24883570; 162076625
• PubChem CID: 69146

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2749276
• LogD (pH = 7.4): 3.2749276
• Log P: 3.2749276
• Molar Refractivity: 63.0967 cm^3
• Polarizability: 24.51001 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 60-62°C; 60-63 °C(lit.); 60-63°C; 61-64 °C
• Boiling Point: 354-356 °C(lit.); 354-356°C

Safety Information

• Storage Warning: Irritant
• RTECS: PC4962500
• German water hazard class: 2
• TSCA Listed: 否
• GHS Hazard statements: H303
• GHS Precautionary statements: P312
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0% (GC); 97%; 98%; 98+%
• Grade: purum
• Linear Formula: CH3OC6H4COC6H5

DETAILS

MP Biomedicals - 05208409

MP Biomedicals Rare Chemical collection

Sigma Aldrich - M10301

Packaging
25 g in poly bottle

Toronto Research Chemicals - M226080

4-Methoxybenzophenone and its analogues showed diverse plant growth-regulating actions such as inhibition of shoot and root growth, induction of chlorosis, and a disturbance in phototropism or geotropism. 4-Methoxybenzophenone is also used as a photopolym

REFERENCES

• Yamada, O. et al.: Agric. Biol. Chem., 38, 2017 (1974)
• Ruhlmann, D. et al.: Eur. Polym. J., 27, 991 (1974)