(2S,3S)-2,3-Bis[(4-Methylbenzoyl)Oxy]Succinic Acid
[CAS# 217968-14-4]

Identification

• Name: (2S,3S)-2,3-Bis[(4-Methylbenzoyl)Oxy]Succinic Acid
• Synonyms: (2S,3S)-(+)-2,3-Bis[(4-methylbenzoyl)oxy]butane-1,4-dioic acid; (2S,3S)-(+)-2,3-Bis[(4-methylbenzoyl)oxy]succinic acid, (+)-O,O'-Di-p-toluoyl-D-tartaric acid; (2S,3S)-2,3-Bis-(4-methyl-benzoyloxy)-succinic acid
• Molecular Formula: C₂₀H₁₈O₈
• Molecular Weight: 386.35
• CAS Registry Number: 217968-14-4
• SMILES: CC1=CC=C(C=C1)C(=O)O[C@@H]([C@@H](C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O
• InChI: 1S/C20H18O8/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24)/t15-,16-/m0/s1
• InChIKey: CMIBUZBMZCBCAT-HOTGVXAUSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Melting point: 169-171°C (Expl.)
• Boiling point: 626.5±55.0°C at 760 mmHg (Cal.)
• Flash point: 223.2±25.0°C (Cal.)
• Refractive index: 1.597 (Cal.)

Safety Data

• Safety Description: IRRITANT

References

• (1): L.-D. Tang, G.-Y. Duan, D.-T. Zhang and J.-W. Wang. 2,3-Di-p-toluoyl-(2R,3R)-tartaric acid ethyl acetate solvate, Acta Cryst. (2006). E62, o1685-o1686