Nepetalic acid
[CAS# 524-06-1]

Identification

• Name: Nepetalic acid
• Synonyms: (1R,2S,5R)-2-Methyl-5-[(1R)-1-Methyl-2-Oxo-Ethyl]Cyclopentane-1-Carboxylic Acid; (1R,2S,5R)-2-Methyl-5-[(1R)-1-Methyl-2-Oxoethyl]-1-Cyclopentanecarboxylic Acid; (1R,2R,5S)-2-[(1R)-2-Keto-1-Methyl-Ethyl]-5-Methyl-Cyclopentane-1-Carboxylic Acid
• Molecular Formula: C₁₀H₁₆O₃
• Molecular Weight: 184.23
• CAS Registry Number: 524-06-1
• SMILES: [C@@H]1([C@H](CC[C@@H]1C)[C@H](C=O)C)C(=O)O
• InChI: 1S/C10H16O3/c1-6-3-4-8(7(2)5-11)9(6)10(12)13/h5-9H,3-4H2,1-2H3,(H,12,13)/t6-,7-,8+,9+/m0/s1
• InChIKey: RGTMAXSVLBZNEL-RBXMUDONSA-N

Properties

• Density: 1.081g/cm³ (Cal.)
• Boiling point: 315.443°C at 760 mmHg (Cal.)
• Flash point: 158.793°C (Cal.)