1-(3,4-Xylyl)-3-Adamantanecarboxylic acid
[CAS# 56531-57-8]

Identification

• Name: 1-(3,4-Xylyl)-3-Adamantanecarboxylic acid
• Synonyms: (5S,7R)-3-(3,4-Dimethylphenyl)-1-Adamantanecarboxylate; Zinc01060583; Zinc03885979
• Molecular Formula: C₁₉H₂₃O₂
• Molecular Weight: 283.39
• CAS Registry Number: 56531-57-8
• SMILES: [C@@H]13CC2(CC(C1)(C[C@H](C2)C3)C([O-])=O)C4=CC(=C(C=C4)C)C
• InChI: 1S/C19H24O2/c1-12-3-4-16(5-13(12)2)18-7-14-6-15(8-18)10-19(9-14,11-18)17(20)21/h3-5,14-15H,6-11H2,1-2H3,(H,20,21)/p-1/t14-,15+,18?,19?
• InChIKey: OSUAHUMJPBHFKV-MYMYQCDVSA-M

Properties

• Boiling point: 437.947°C at 760 mmHg (Cal.)
• Flash point: 204.08°C (Cal.)