2,6-Octanedione supplier | CasNO.38275-04-6

Name
2,6-Octanedione
EINECS
CAS No. 38275-04-6
Article Data8
CAS DataBase
Density 0.918 g/cm³
Solubility
Melting Point
Formula C₈H₁₄O₂
Boiling Point 231.2 °C at 760 mmHg
Molecular Weight 142.20
Flash Point 84.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Octane-2,6-dione;
PSA
LogP

2,6-Octanedione Specification

The 2,6-Octanedione, with the CAS registry number 38275-04-6. This chemical's molecular formula is C₈H₁₄O₂ and molecular weight is 142.20. What's more, its systematic name is Octane-2,6-dione.

Physical properties of 2,6-Octanedione are: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.52; (4)ACD/LogD (pH 7.4): 0.52; (5)ACD/BCF (pH 5.5): 1.48; (6)ACD/BCF (pH 7.4): 1.48; (7)ACD/KOC (pH 5.5): 45.98; (8)ACD/KOC (pH 7.4): 45.98; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.419; (14)Molar Refractivity: 39.17 cm³; (15)Molar Volume: 154.8 cm³; (16)Polarizability: 15.52×10^-24 cm³; (17)Surface Tension: 29.4 dyne/cm; (18)Density: 0.918 g/cm³; (19)Flash Point: 84.1 °C; (20)Enthalpy of Vaporization: 46.79 kJ/mol; (21)Boiling Point: 231.2 °C at 760 mmHg; (22)Vapour Pressure: 0.063 mmHg at 25 °C.

Preparation: this chemical can be prepared by oct-6-yn-2-one at the ambient temperature. This reaction will need reagent PdCl₂(MeCN)₂ and solvents acetonitrile, H₂O with the reaction time of 9 hours. The yield is about 67%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CCCC(=O)CC)C
(2)InChI: InChI=1/C8H14O2/c1-3-8(10)6-4-5-7(2)9/h3-6H2,1-2H3
(3)InChIKey: XSHOQLFLPSMAGQ-UHFFFAOYAD

Product Name

2,6-Octanedione

2,6-Octanedione Specification

Related Products

Hot Products