b,e-Carotene-3,3'-diol supplier

Name
13-CIS-LUTEIN
EINECS
CAS No. 38327-39-8
Article Data10
CAS DataBase
Density 1.004 g/cm³
Solubility
Melting Point
Formula C₄₀H₅₆O₂
Boiling Point 702.3 °C at 760 mmHg
Molecular Weight 568.883
Flash Point 269 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4,5-Didehydro-5,6-dihydro-β,β-carotene-3,3'-diol;
PSA 40.46000
LogP 10.40330

b,e-Carotene-3,3'-diol Specification

The CAS registry number of b,e-Carotene-3,3'-diol is 38327-39-8. This chemical's molecular formula is C₄₀H₅₆O₂and molecular weight is 568.8714. What's more, its systematic name is 4,5-Didehydro-5,6-dihydro-β,β-carotene-3,3'-diol.

Physical properties about b,e-Carotene-3,3'-diol, are: (1) ACD/LogP: 11.78; (2) # of Rule of 5 Violations: 2; (3) #H bond acceptors: 2; (4) #H bond donors: 2; (5) #Freely Rotating Bonds: 12; (6) Polar Surface Area: 18.46 Å²; (7) Index of Refraction: 1.582; (8) Molar Refractivity: 189.11 cm³; (9) Molar Volume: 566.1 cm³; (10) Polarizability: 74.97 10^-24 cm³; (11) Surface Tension: 40.9 dyne/cm; (12) Density: 1.004 g/cm³; (13) Flash Point: 269 °C; (14) Enthalpy of Vaporization: 117.48 kJ/mol; (15) Boiling Point: 702.3 °C at 760 mmHg; (16) Vapour Pressure: 8.45E-23 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC2C/C(=C(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1C(=C/C(O)CC1(C)C)\C)C)C)C)C)C(C)(C)C2)C
(2) InChI: InChI=1/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
(3) InChIKey: KBPHJBAIARWVSC-DKLMTRRABK

Product Name

13-CIS-LUTEIN

b,e-Carotene-3,3'-diol Specification

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