4,10-Dioxatricyclo[5.2.1.0(2,6)]decan-8-en-3-one supplier

Name
4,7-epoxy-3a,4,7,7a-tetrahydroisobenzofuran-1(3h)-one
EINECS
CAS No. 72150-22-2
Article Data6
CAS DataBase
Density 1.366 g/cm³
Solubility
Melting Point 93 °C
Formula C₈H₈O₃
Boiling Point 338 °C at 760 mmHg
Molecular Weight 152.15
Flash Point 139.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4,10-Dioxatricyclo[5.2.1.02,6]-8-decen-3-one;NSC 323756;3a,4,7,7a-tetrahydro-4,7-epoxy-2-benzofuran-1(3H)-one;
PSA 35.53000
LogP 0.11280

4,10-Dioxatricyclo[5.2.1.0(2,6)]decan-8-en-3-one Specification

The 4,10-Dioxatricyclo[5.2.1.0(2,6)]decan-8-en-3-one, with the CAS registry number 72150-22-2, has the systematic name of 3a,4,7,7a-tetrahydro-4,7-epoxy-2-benzofuran-1(3H)-one. It should be stored in sealed containers, and should keep dry and cool at the same time. And the molecular formula of the chemical is C₈H₈O₃.

The characteristics of 4,10-Dioxatricyclo[5.2.1.0(2,6)]decan-8-en-3-one are as followings: (1)ACD/LogP: -0.78; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 35.53 Å²; (7)Index of Refraction: 1.558; (8)Molar Refractivity: 35.94 cm³; (9)Molar Volume: 111.3 cm³; (10)Polarizability: 14.24×10^-24cm³; (11)Surface Tension: 44.2 dyne/cm; (12)Density: 1.366 g/cm³; (13)Flash Point: 139.8 °C; (14)Enthalpy of Vaporization: 58.13 kJ/mol; (15)Boiling Point: 338 °C at 760 mmHg; (16)Vapour Pressure: 0.000101 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1OCC3C1C/2OC3\C=C\2
(2)InChI: InChI=1/C8H8O3/c9-8-7-4(3-10-8)5-1-2-6(7)11-5/h1-2,4-7H,3H2
(3)InChIKey: KIAQKKYOUVIGII-UHFFFAOYAO

Product Name

4,7-epoxy-3a,4,7,7a-tetrahydroisobenzofuran-1(3h)-one

4,10-Dioxatricyclo[5.2.1.0(2,6)]decan-8-en-3-one Specification

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