5-Chloro-3-[(2E,6E)-7-[(2S)-5,5-Dimethyl-4-Oxooxolan-2-Yl]-3-Methylocta-2,6-Dienyl]-2,4-Dihydroxy-6-Methylbenzaldehyde
[CAS# 38462-04-3]

Identification

• Name: 5-Chloro-3-[(2E,6E)-7-[(2S)-5,5-Dimethyl-4-Oxooxolan-2-Yl]-3-Methylocta-2,6-Dienyl]-2,4-Dihydroxy-6-Methylbenzaldehyde
• Synonyms: 5-Chloro-3-[(2E,6E)-7-[(2S)-5,5-Dimethyl-4-Oxo-Tetrahydrofuran-2-Yl]-3-Methyl-Octa-2,6-Dienyl]-2,4-Dihydroxy-6-Methyl-Benzaldehyde; 5-Chloro-3-[(2E,6E)-7-[(2S)-5,5-Dimethyl-4-Oxo-2-Tetrahydrofuranyl]-3-Methylocta-2,6-Dienyl]-2,4-Dihydroxy-6-Methylbenzaldehyde; 5-Chloro-2,4-Dihydroxy-3-[(2E,6E)-7-[(2S)-4-Keto-5,5-Dimethyl-Tetrahydrofuran-2-Yl]-3-Methyl-Octa-2,6-Dienyl]-6-Methyl-Benzaldehyde
• Molecular Formula: C₂₃H₂₉ClO₅
• Molecular Weight: 420.93
• CAS Registry Number: 38462-04-3
• SMILES: [C@@H]2(/C(=C/CC/C(=C/CC1=C(C(=C(C)C(=C1O)Cl)C=O)O)C)C)CC(=O)C(O2)(C)C
• InChI: 1S/C23H29ClO5/c1-13(7-6-8-14(2)18-11-19(26)23(4,5)29-18)9-10-16-21(27)17(12-25)15(3)20(24)22(16)28/h8-9,12,18,27-28H,6-7,10-11H2,1-5H3/b13-9+,14-8+/t18-/m0/s1
• InChIKey: VGYPZLGWVQQOST-JUERRSSISA-N

Properties

• Density: 1.207g/cm³ (Cal.)
• Boiling point: 581.152°C at 760 mmHg (Cal.)
• Flash point: 305.27°C (Cal.)