Product Name

  • Name

    Butin

  • EINECS
  • CAS No. 492-14-8
  • Article Data4
  • CAS DataBase
  • Density 1.485 g/cm3
  • Solubility
  • Melting Point 224-226ºC
  • Formula C15H12O5
  • Boiling Point 582.4 °C at 760 mmHg
  • Molecular Weight 272.257
  • Flash Point 226.7 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 492-14-8 (Butin)
  • Hazard Symbols
  • Synonyms butin (7, 3′, 4′-trihydroxydihydroflavone);4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, (S)-;Butin;4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)- 2,3-dihydro-7-hydroxy-,(2S)-;(2S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-chroman-4-one;
  • PSA 86.99000
  • LogP 2.50990

Butin Specification

The Butin is an organic compound with the formula C15H12O5. The IUPAC name of this chemical is (2S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-. With the CAS registry number 492-14-8, it is also named as 4H-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, (2S)-.

Physical properties about Butin are: (1)ACD/LogP: 2.16; (2)ACD/LogD (pH 5.5): 2.15; (3)ACD/LogD (pH 7.4): 1.97; (4)ACD/BCF (pH 5.5): 25.49; (5)ACD/BCF (pH 7.4): 16.54; (6)ACD/KOC (pH 5.5): 352.78; (7)ACD/KOC (pH 7.4): 228.84; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 53.99 Å2; (12)Index of Refraction: 1.692; (13)Molar Refractivity: 70.25 cm3; (14)Molar Volume: 183.2 cm3; (15)Polarizability: 27.85×10-24cm3; (16)Surface Tension: 72.8 dyne/cm; (17)Density: 1.485 g/cm3; (18)Flash Point: 226.7 °C; (19)Enthalpy of Vaporization: 90.29 kJ/mol; (20)Boiling Point: 582.4 °C at 760 mmHg; (21)Vapour Pressure: 3.68E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c3c(O[C@H](c1ccc(O)c(O)c1)C2)cc(O)cc3
(2)InChI: InChI=1/C15H12O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-6,14,16-17,19H,7H2/t14-/m0/s1
(3)InChIKey: MJBPUQUGJNAPAZ-AWEZNQCLBW
(4)Std. InChI: InChI=1S/C15H12O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-6,14,16-17,19H,7H2/t14-/m0/s1
(5)Std. InChIKey: MJBPUQUGJNAPAZ-AWEZNQCLSA-N

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