Product Name

  • Name

    5-18-05-00186 (Beilstein Handbook Reference)

  • EINECS
  • CAS No. 22172-17-4
  • Article Data2
  • CAS DataBase
  • Density 1.452 g/cm3
  • Solubility
  • Melting Point 191-192℃
  • Formula C15H12O6
  • Boiling Point 546.3 °C at 760 mmHg
  • Molecular Weight 288.257
  • Flash Point 210.6 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 22172-17-4 (5-18-05-00186 (Beilstein Handbook Reference))
  • Hazard Symbols
  • Synonyms 1,8-Dihydroxy-3,7-dimethoxyxanthen-9-one;1,8-Dihydroxy-3,7-dimethoxyxanthone;Methylswertianin;Svercyaperenin;Swertiaperenine;Swertiaperennin;Xanthen-9-one,1,8-dihydroxy-2,6-dimethoxy-(8CI);1,3,7,8-Tetrahydroxyxanthone 3,7-dimethylether;1,8-Dihydroxy-2,6-dimethoxyxanthone;
  • PSA 89.13000
  • LogP 2.37460

Methylswertianin Specification

The Methylswertianin with CAS registry number of 22172-17-4 is also called 1,8-Dihydroxy-2,6-dimethoxyxanthone. The IUPAC name is 1,8-dihydroxy-2,6-dimethoxy-9H-xanthen-9-one. In addition, the formula is C15H12O6 and the molecular weight is 288.2522.

Physical properties about this chemical are: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.59; (4)ACD/LogD (pH 7.4): 0.16; (5)ACD/BCF (pH 5.5): 9.13; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 162.02; (8)ACD/KOC (pH 7.4): 6.01; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 63.22 Å2; (13)Index of Refraction: 1.652; (14)Molar Refractivity: 72.65 cm3; (15)Molar Volume: 198.4 cm3; (16)Polarizability: 28.8 ×10-24cm3; (17)Surface Tension: 62.2 dyne/cm; (18)Density: 1.452 g/cm3; (19)Flash Point: 210.6 °C; (20)Enthalpy of Vaporization: 85.63 kJ/mol; (21)Boiling Point: 546.3 °C at 760 mmHg; (22)Vapour Pressure: 1.51E-12 mmHg at 25°C.

Uses of Methylswertianin: it can react with diazomethane to give 8-hydroxy-1,2,6-trimethoxy-xanthen-9-one and 1,2,6,8-tetramethoxy-xanthen-9-one. The other product is 1-hydroxy-2,6,8-trimethoxy-xanthen-9-one. This reaction will need reagents methanol and diethyl ether. The yield is about 53%.

Uses of Methylswertianin can react with diazomethane to give 8-hydroxy-1,2,6-trimethoxy-xanthen-9-one and 1,2,6,8-tetramethoxy-xanthen-9-one. The other product is 1-hydroxy-2,6,8-trimethoxy-xanthen-9-one.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1c3c(O)c(OC)ccc3Oc2c1c(O)cc(OC)c2
(2)InChI: InChI=1/C15H12O6/c1-19-7-5-8(16)12-11(6-7)21-9-3-4-10(20-2)14(17)13(9)15(12)18/h3-6,16-17H,1-2H3
(3)InChIKey: PUECEVJMPDNNHT-UHFFFAOYAY

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View