Methyl 4-[(2R,4S)-4-Hydroxy-2-Pentanyl]Benzoate
[CAS# 497069-11-1]

Identification

• Name: Methyl 4-[(2R,4S)-4-Hydroxy-2-Pentanyl]Benzoate
• Synonyms: methyl 4-((2R,4S)-4-hydroxypentan-2-yl)benzoate
• Molecular Formula: C₁₃H₁₈O₃
• Molecular Weight: 222.28
• CAS Registry Number: 497069-11-1
• SMILES: O=C(OC)c1ccc(cc1)[C@@H](C[C@@H](O)C)C
• InChI: 1S/C13H18O3/c1-9(8-10(2)14)11-4-6-12(7-5-11)13(15)16-3/h4-7,9-10,14H,8H2,1-3H3/t9-,10+/m1/s1
• InChIKey: GTQKFKYFPLSKFO-ZJUUUORDSA-N

Properties

• Density: 1.067g/cm³ (Cal.)
• Boiling point: 337.627°C at 760 mmHg (Cal.)
• Flash point: 137.745°C (Cal.)
• Refractive index: 1.516 (Cal.)