Xanthoxin
[CAS# 26932-58-1]

Identification

• Name: Xanthoxin
• Synonyms: (2E,4E)-5-(4-Hydroxy-2,2,6-Trimethyl-7-Oxabicyclo[4.1.0]Heptan-1-Yl)-3-Methyl-Penta-2,4-Dienal; 2,4-Pentadienal, 5-(4-Hydroxy-2,2,6-Trimethyl-7-Oxabicyclo(4.1.0)Hept-1-Yl)-3-Methyl- (Van); Cis,Trans-Xanthoxin
• Molecular Formula: C₁₅H₂₂O₃
• Molecular Weight: 250.34
• CAS Registry Number: 26932-58-1
• SMILES: CC12OC1(C(CC(O)C2)(C)C)\C=C\C(=C\C=O)C
• InChI: 1S/C15H22O3/c1-11(6-8-16)5-7-15-13(2,3)9-12(17)10-14(15,4)18-15/h5-8,12,17H,9-10H2,1-4H3/b7-5+,11-6+
• InChIKey: ZTALKMXOHWQNIA-YXJPLFFZSA-N

Properties

• Density: 1.152g/cm³ (Cal.)
• Boiling point: 371.134°C at 760 mmHg (Cal.)
• Flash point: 132.586°C (Cal.)