(3R)-7,8-Didehydro-beta,beta-Caroten-3-Ol
[CAS# 21284-10-6]

Identification

• Name: (3R)-7,8-Didehydro-beta,beta-Caroten-3-Ol
• Synonyms: 7,8-Didehydrocryptoxanthin; Crocoxanthin
• Molecular Formula: C₄₀H₅₄O
• Molecular Weight: 550.86
• CAS Registry Number: 21284-10-6
• SMILES: CC2(C)C[C@H](O)CC(\C)=C2\C#CC(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(/C)CCCC1(C)C
• InChI: 1S/C40H54O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23,25,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1
• InChIKey: UNJKJDIRJWIHLL-BQLQDKTLSA-N

Properties

• Density: 0.989g/cm³ (Cal.)
• Boiling point: 679.575°C at 760 mmHg (Cal.)
• Flash point: 266.558°C (Cal.)
• Refractive index: 1.56 (Cal.)