5-Chloro-1-(3,4-Dimethoxyphenyl)-1-Pentanone
[CAS# 33245-77-1]

Identification

• Name: 5-Chloro-1-(3,4-Dimethoxyphenyl)-1-Pentanone
• Synonyms: 1-Chloro-5-(3,4-dimethoxyphenyl)-5-oxopentane
• Molecular Formula: C₁₃H₁₇ClO₃
• Molecular Weight: 256.73
• CAS Registry Number: 33245-77-1
• SMILES: COc1cc(ccc1OC)C(=O)CCCCCl
• InChI: 1S/C13H17ClO3/c1-16-12-7-6-10(9-13(12)17-2)11(15)5-3-4-8-14/h6-7,9H,3-5,8H2,1-2H3
• InChIKey: VYOJBPHSFAMJDD-UHFFFAOYSA-N

Properties

• Density: 1.117g/cm³ (Cal.)
• Boiling point: 383.684°C at 760 mmHg (Cal.)
• Flash point: 152.828°C (Cal.)