Alkannin supplier | CasNO.517-88-4

Name
Alkannin
EINECS 208-245-7
CAS No. 517-88-4
Article Data18
CAS DataBase
Density 1.373g/cm³
Solubility
Melting Point 149°
Formula C₁₆H₁₆O₅
Boiling Point 567.4 °C at 760 mmHg
Molecular Weight 288.3
Flash Point 311 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,4-Naphthalenedione,5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (S)-;1,4-Naphthalenedione,5,8-dihydroxy-2-[(1S)-1-hydroxy-4-methyl-3-pentenyl]- (9CI);1,4-Naphthoquinone, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (-)-(8CI);Alkannin (6CI);(-)-Alkannin;Anchusaacid;NSC 94524;
PSA 94.83000
LogP 2.12040

Alkannin Specification

The Alkannin is an organic compound with the formula C₁₆H₁₆O₅. The IUPAC name of this chemical is 5,8-dihydroxy-2-[(1S)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione. With the CAS registry number 517-88-4, it is also named as 1,4-naphthalenedione, 5,8-dihydroxy-2-[(1S)-1-hydroxy-4-methyl-3-penten-1-yl]-. Besides, Alkannin is a natural dye that is obtained from the extracts of Alkanna tinctoria. It is also an antioxidant and has an antimicrobial effect against staphylococcus aureus and Staphylococcus epidermidis.

Physical properties about Alkannin are: (1)ACD/LogP: 4.35; (2)ACD/LogD (pH 5.5): 4.34; (3)ACD/LogD (pH 7.4): 3.85; (4)ACD/BCF (pH 5.5): 1162.77; (5)ACD/BCF (pH 7.4): 378.24; (6)ACD/KOC (pH 5.5): 5404.5; (7)ACD/KOC (pH 7.4): 1758.03; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 61.83 Å²; (12)Index of Refraction: 1.642; (13)Molar Refractivity: 75.86 cm³; (14)Molar Volume: 209.9 cm³; (15)Polarizability: 30.07×10^-24cm³; (16)Surface Tension: 65.1 dyne/cm; (17)Density: 1.373 g/cm³; (18)Flash Point: 311 °C; (19)Enthalpy of Vaporization: 89.61 kJ/mol; (20)Boiling Point: 567.4 °C at 760 mmHg; (21)Vapour Pressure: 1.04E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\2c1c(O)ccc(O)c1C(=O)/C(=C/2)[C@@H](O)C\C=C(/C)C
(2)InChI: InChI=1/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m0/s1
(3)InChIKey: NEZONWMXZKDMKF-JTQLQIEIBC
(4)Std. InChI: InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m0/s1
(5)Std. InChIKey:NEZONWMXZKDMKF-JTQLQIEISA-N

Product Name

Alkannin

Alkannin Specification

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