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beta,beta-Caroten-4-Ol
[CAS# 472-62-8]

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CAS#: 472-62-8
Product: beta,beta-Caroten-4-Ol
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Identification
Name beta,beta-Caroten-4-Ol
Synonyms Isocryptoxanthin; β-isocryptoxanthin
Molecular Structure CAS#: 472-62-8, beta,beta-Caroten-4-Ol
Molecular Formula C40H56O
Molecular Weight 552.87
CAS Registry Number 472-62-8
SMILES OC2C(=C(\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(\CCCC1(C)C)C)C)C)C)C)C(C)(C)CC2)\C
InChI 1S/C40H56O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26,38,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+
InChIKey JCRCKXUPYKELBT-QQGJMDNJSA-N
Properties
Density 0.975g/cm3 (Cal.)
Boiling point 684.025°C at 760 mmHg (Cal.)
Flash point 294.065°C (Cal.)
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