(2R,3S)-3-Methyl-2-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}pentanoic acid
[CAS# 692778-50-0]

Identification

• Name: (2R,3S)-3-Methyl-2-{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}pentanoic acid
• Synonyms: (2R,3S)-2-[2-(tert-butoxy)-2-oxoethyl]-3-methylpentanoic acid; 2R-sec-Butyl-succinic acid 4-tert-butyl ester
• Molecular Formula: C₁₂H₂₂O₄
• Molecular Weight: 230.30
• CAS Registry Number: 692778-50-0
• SMILES: CC[C@H](C)[C@@H](CC(=O)OC(C)(C)C)C(=O)O
• InChI: 1S/C12H22O4/c1-6-8(2)9(11(14)15)7-10(13)16-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,14,15)/t8-,9+/m0/s1
• InChIKey: MSWJCGHMPAEXAY-DTWKUNHWSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 324.7±25.0°C at 760 mmHg (Cal.)
• Flash point: 113.6±16.7°C (Cal.)
• Refractive index: 1.452 (Cal.)