(5S,6R)-5,6-Dihydroxy-4-Pentylcyclohexa-1,3-Diene-1-Carboxylate
[CAS# 205639-93-6]

Identification

• Name: (5S,6R)-5,6-Dihydroxy-4-Pentylcyclohexa-1,3-Diene-1-Carboxylate
• Synonyms: (5S,6R)-5,6-Dihydroxy-4-Pentyl-Cyclohexa-1,3-Diene-1-Carboxylate; (5S,6R)-5,6-Dihydroxy-4-Pentyl-1-Cyclohexa-1,3-Dienecarboxylate; (5S,6R)-4-Amyl-5,6-Dihydroxy-Cyclohexa-1,3-Diene-1-Carboxylate
• Molecular Formula: C₁₂H₁₇O₄
• Molecular Weight: 225.26
• CAS Registry Number: 205639-93-6
• SMILES: [C@H]1(O)[C@@H](O)C(=CC=C1C([O-])=O)CCCCC
• InChI: 1S/C12H18O4/c1-2-3-4-5-8-6-7-9(12(15)16)11(14)10(8)13/h6-7,10-11,13-14H,2-5H2,1H3,(H,15,16)/p-1/t10-,11+/m0/s1
• InChIKey: HDNLKEAXAZXFKE-WDEREUQCSA-M

Properties

• Boiling point: 416.978°C at 760 mmHg (Cal.)
• Flash point: 220.131°C (Cal.)