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1748-81-8

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Basic Information
CAS No.: 1748-81-8
Name: Carabrone
Molecular Structure:
Molecular Structure of 1748-81-8 (Carabrone)
Formula: C15H20 O3
Molecular Weight: 248.322
Synonyms: 2H-Cyclopropa[f]benzofuran-2-one,octahydro-5a-methyl-3-methylene-5-(3-oxobutyl)- (8CI);2H-Cyclopropa[f]benzofuran-2-one,octahydro-5a-methyl-3-methylene-5-(3-oxobutyl)-, [3aR-(3aa,4aa,5a,5aa,6aa)]-; 3-Norcaraneacetic acid, 4-hydroxy-6-methyl-a-methylene-7-(3-oxobutyl)-, g-lactone (7CI); Carabron;Carabrone; Caropesia lactone
Density: 1.13g/cm3
Melting Point: 89 - 90 °C
Boiling Point: 397.4oC at 760 mmHg
Flash Point: 176.5oC
PSA: 43.37000
LogP: 2.49950
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Chemistry

Molecular Structure of Carabrone (CAS NO.1748-81-8):

IUPAC Name: (3aR,4aS,5S,5aR,6aR)-5a-Methyl-3-methylidene-5-(3-oxobutyl)-3a,4,4a,5,6,6a-hexahydrocyclopropa[f][1]benzofuran-2-one
Molecular Weight: 248.3175 [g/mol]  
Molecular Formula: C15H20O3  
XLogP3-AA: 2  
H-Bond Donor: 0  
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Tautomer Count: 3
Exact Mass: 248.141245
MonoIsotopic Mass: 248.141245
Topological Polar Surface Area: 43.4
Heavy Atom Count: 18
Complexity: 439
Index of Refraction: 1.525 
Molar Refractivity: 66.8 cm3 
Molar Volume: 217.9 cm3
Surface Tension: 39.5 dyne/cm 
Density: 1.13 g/cm3 
Flash Point: 176.5 °C 
Enthalpy of Vaporization: 64.78 kJ/mol 
Boiling Point: 397.4 °C at 760 mmHg 
Vapour Pressure: 1.6E-06 mmHg at 25 °C

Specification

 Carabrone (CAS NO.1748-81-8), its Synonyms are 2H-Cyclopropa(f)benzofuran-2-one, octahydro-5a-methyl-3-methylene-5-(3-oxobutyl)- ; Carabron ; Octahydro-5a-methyl-3-methylene-5-(3-oxobutyl)-2H-cyclopropa[f]benzofuran-2-one .