5-Ethyl-4-(4-Hydroxyphenyl)-6-Methyl-3-Cyclohexene-1-Carboxylic Acid Sodium Salt
[CAS# 22921-18-2]

Identification

• Name: 5-Ethyl-4-(4-Hydroxyphenyl)-6-Methyl-3-Cyclohexene-1-Carboxylic Acid Sodium Salt
• Synonyms: Sodium 5-Ethyl-4-(4-Hydroxyphenyl)-6-Methyl-Cyclohex-3-Ene-1-Carboxylate; Sodium 5-Ethyl-4-(4-Hydroxyphenyl)-6-Methyl-1-Cyclohex-3-Enecarboxylate; 2-Methyl-3-Ethyl-4-P-Hydroxyphenyl-Delta(Sup 4)-Cyclohexene Carboxylic Acid Sodium Salt
• Molecular Formula: C₁₆H₁₉NaO₃
• Molecular Weight: 282.31
• CAS Registry Number: 22921-18-2
• SMILES: C2=C(C1=CCC(C(C1CC)C)C([O-])=O)C=CC(=C2)O.[Na+]
• InChI: 1S/C16H20O3.Na/c1-3-13-10(2)14(16(18)19)8-9-15(13)11-4-6-12(17)7-5-11;/h4-7,9-10,13-14,17H,3,8H2,1-2H3,(H,18,19);/q;+1/p-1
• InChIKey: YPTCKQVWMFTJCM-UHFFFAOYSA-M

Properties

• Boiling point: 439.6°C at 760 mmHg (Cal.)
• Flash point: 233.8°C (Cal.)