Cas no 6320-18-9 (octane-3,5-dione)
octane-3,5-dione structure
Product Name:octane-3,5-dione
octane-3,5-dione Chemical and Physical Properties
Names and Identifiers
-
- octane-3,5-dione
- 3,5-Octanedione
- AC1L2ZR9
- AC1Q5GYG
- AR-1E9816
- CTK5B8064
- EINECS 228-671-7
- NSC31890
- Octan-3,5-dion
- Propionyl-butyryl-methan
- 5-octanedione
- NSC-31890
- DTXSID20212562
- AI3-19264
- SCHEMBL451525
- NS00035363
- AKOS004115518
- 3,5-octandione
- NSC 31890
- 6320-18-9
-
- Inchi： 1S/C8H14O2/c1-3-5-8(10)6-7(9)4-2/h3-6H2,1-2H3
- InChI Key： PJEPOHXMGDEIMR-UHFFFAOYSA-N
- SMILES： O=C(CC(CC)=O)CCC
Computed Properties
- Exact Mass: 142.09942
- Monoisotopic Mass: 142.099
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 127
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 34.1A^2
- XLogP3: 1.1
Experimental Properties
- Density: 0.918
- Boiling Point: 204.1°C at 760 mmHg
- Flash Point: 72.5°C
- Refractive Index: 1.419
- PSA: 34.14
- LogP: 1.72480
octane-3,5-dione Related Literature
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
6320-18-9 (octane-3,5-dione) Related Products
- 502-49-8(Cyclooctanone)
- 502-72-7(Cyclopentadecanone)
- 112-12-9(2-Undecanone)
- 504-02-9(Cyclohexane-1,3-dione)
- 593-08-8(2-Tridecanone)
- 693-54-9(Decan-2-one)
- 110-13-4(hexane-2,5-dione)
- 502-56-7(5-Nonanone)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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