Pummerers ketone supplier | CasNO.546-24-7

Name
8,9b-dimethyl-4,4a-dihydrodibenzofuran-3-one
EINECS
CAS No. 546-24-7
Article Data10
CAS DataBase
Density 1.174 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₄O₂
Boiling Point 296.9 °C at 760 mmHg
Molecular Weight 214.264
Flash Point 123.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3(4H)-Dibenzofuranone, 4a,9b-dihydro-8, 9b-dimethyl-;3(4H)-Dibenzofuranone, 4a,9b-dihydro-8,9b-dimethyl- (8CI)(9CI);8,9b-dimethyl-4a,9b-dihydrodibenzo[b,d]furan-3(4H)-one;
PSA 26.30000
LogP 2.54270

Pummerers ketone Specification

The Pummerers ketone, with the CAS registry number 546-24-7, is also known as 3(4H)-Dibenzofuranone, 4a,9b-dihydro-8, 9b-dimethyl-. This chemical's molecular formula is C₁₄H₁₄O₂ and molecular weight is 214.26. What's more, its IUPAC name is 8,9b-dimethyl-4,4α-dihydrodibenzofuran-3-one.

Physical properties of Pummerers ketone are: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.43; (4)CD/LogD (pH 7.4): 2.43; (5)ACD/BCF (pH 5.5): 41.03; (6)ACD/BCF (pH 7.4): 41.03; (7)ACD/KOC (pH 5.5): 496.94; (8)ACD/KOC (pH 7.4): 496.94; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.3Å²; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 61.08 cm³; (15)Molar Volume: 182.3 cm³; (16)Polarizability: 24.21×10^-24cm³; (17)Surface Tension: 43.7 dyne/cm; (18)Density: 1.174 g/cm³; (19)Flash Point: 123.4 °C; (20)Enthalpy of Vaporization: 53.68 kJ/mol; (21)Boiling Point: 296.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00139 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1\C=C/C2(c3c(OC2C1)ccc(c3)C)
(2)Std. InChI: InChI=1S/C14H14O2/c1-9-3-4-12-11(7-9)14(2)6-5-10(15)8-13(14)16-12/h3-7,13H,8H2,1-2H3
(3)Std. InChIKey: RGTPQXAKJODXMX-UHFFFAOYSA-N

Product Name

8,9b-dimethyl-4,4a-dihydrodibenzofuran-3-one

Pummerers ketone Specification

Related Products

Hot Products