6-Methyl-4-phenylchroman-2-one supplier

Name
6-Methyl-4-phenylchroman-2-one
EINECS
CAS No. 40546-94-9
Article Data30
CAS DataBase
Density 1.166 g/cm³
Solubility
Melting Point 68-70ºC
Formula C₁₆H₁₄O₂
Boiling Point 351.1 °C at 760 mmHg
Molecular Weight 238.286
Flash Point 146.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Hydrocoumarin,6-methyl-4-phenyl- (6CI,7CI);3,4-Dihydro-6-methyl-4-phenyl-2H-benzopyran-2-one;6-Methyl-4-phenyl-3,4-dihydro-1-benzopyran-2-one;6-Methyl-4-phenyl-3,4-dihydrocoumarin;
PSA 26.30000
LogP 3.43600

6-Methyl-4-phenylchroman-2-one Specification

1. Introduction of 6-Methyl-4-phenylchroman-2-one

The 2H-1-Benzopyran-2-one,3,4-dihydro-6-methyl-4-phenyl- is an organic compound with the formula C₁₆H₁₄O₂. The IUPAC name of this chemical is 6-methyl-4-phenyl-3,4-dihydrochromen-2-one. With the CAS registry number 40546-94-9, it is also named as 3,4-Dihydro-6-methyl-4-phenyl-2H-1-benzopyran-2-one. The product's categories are Medicine Intermediate; API Intermediates; Tolterodine Tartrate; (Intermeidate of Tolterodine); (Intermediate of Tolterodine Tartrate); Benzenes.

2.Physical properties about 2H-1-Benzopyran-2-one,3,4-dihydro-6-methyl-4-phenyl-

(1)ACD/LogP: 3.64; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 26.3 Å²; (5)Index of Refraction: 1.595; (6)Molar Refractivity: 69.43 cm³; (7)Molar Volume: 204.2 cm³; (8)Polarizability: 27.52×10^-24cm³; (9)Surface Tension: 44.6 dyne/cm; (10)Density: 1.166 g/cm³; (11)Flash Point: 146.3 °C; (12)Enthalpy of Vaporization: 59.58 kJ/mol; (13)Boiling Point: 351.1 °C at 760 mmHg; (14)Vapour Pressure: 4.2E-05 mmHg at 25°C.

3.Structure descriptors of 6-Methyl-4-phenylchroman-2-one

(1)SMILES: O=C3Oc1ccc(cc1C(c2ccccc2)C3)C
(2)InChI: InChI=1/C16H14O2/c1-11-7-8-15-14(9-11)13(10-16(17)18-15)12-5-3-2-4-6-12/h2-9,13H,10H2,1H3
(3)InChIKey: SUHIZPDCJOQZLN-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C16H14O2/c1-11-7-8-15-14(9-11)13(10-16(17)18-15)12-5-3-2-4-6-12/h2-9,13H,10H2,1H3
(5)Std. InChIKey: SUHIZPDCJOQZLN-UHFFFAOYSA-N

Product Name

6-Methyl-4-phenylchroman-2-one

6-Methyl-4-phenylchroman-2-one Specification

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