Xylyl dibutylbenzofuranone supplier

Name
Xylyl dibutylbenzofuranone
EINECS
CAS No. 181314-48-7
Density 1.043 g/cm³
Solubility
Melting Point
Formula C₂₄H₃₀O₂
Boiling Point 404.998 °C at 760 mmHg
Molecular Weight 350.49
Flash Point 170.776 °C
Transport Information
Appearance White to off white crystalline powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Xylyl dibutylbenzofuranone;3,4-Dibutyl-5-(2,4-dimethylphenyl)benzofuran-2(3H)-one;
PSA 26.30000
LogP 6.50580

Xylyl dibutylbenzofuranone Specification

The CAS register number of Xylyl dibutylbenzofuranone is 181314-48-7. It also can be called as 3,4-Dibutyl-5-(2,4-dimethylphenyl)benzofuran-2(3H)-one and the systematic name about this chemical is 5,7-di-tert-butyl-3-(3,4-dimethylphenyl)-1-benzofuran-2(3H)-one. The molecular formula about this chemical is C₂₄H₃₀O₂and the molecular weight is 350.49.

Physical properties about Xylyl dibutylbenzofuranone are: (1)ACD/LogP: 5.94; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 7; (5)ACD/BCF (pH 5.5): 131217; (6)ACD/BCF (pH 7.4): 131217; (7)ACD/KOC (pH 5.5): 160337; (8)ACD/KOC (pH 7.4): 160337; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 26.3Å²; (12)Index of Refraction: 1.546; (13)Molar Refractivity: 106.42 cm³; (14)Molar Volume: 336.175 cm³; (15)Polarizability: 42.188x10^-24cm³; (16)Surface Tension: 38.215 dyne/cm; (17)Enthalpy of Vaporization: 65.652 kJ/mol; (18)Boiling Point: 404.998 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2Oc1c(cc(cc1C2c3ccc(c(c3)C)C)C(C)(C)C)C(C)(C)C
(2)InChI: InChI=1/C24H30O2/c1-14-9-10-16(11-15(14)2)20-18-12-17(23(3,4)5)13-19(24(6,7)8)21(18)26-22(20)25/h9-13,20H,1-8H3
(3)InChIKey: CYHYIIFODCKQNP-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C24H30O2/c1-14-9-10-16(11-15(14)2)20-18-12-17(23(3,4)5)13-19(24(6,7)8)21(18)26-22(20)25/h9-13,20H,1-8H3
(5)Std. InChIKey: CYHYIIFODCKQNP-UHFFFAOYSA-N

Product Name

Xylyl dibutylbenzofuranone

Xylyl dibutylbenzofuranone Specification

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