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114866-92-1 | Octanedione
CAS No: 114866-92-1 Catalog No: AG000FD4 MDL No:
Product Description
Catalog Number:
AG000FD4
Chemical Name:
Octanedione
CAS Number:
114866-92-1
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
IUPAC Name:
octane-2,3-dione
InChI:
InChI=1S/C8H14O2/c1-3-4-5-6-8(10)7(2)9/h3-6H2,1-2H3
InChI Key:
XCBBNTFYSLADTO-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)C(=O)C
EC Number:
209-552-9
UNII:
267Z8UAR9Q
NSC Number:
7642
FEMA Number:
4060
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.099g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.198g/mol
Monoisotopic Mass:
142.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Traceability of grass feeding in beef: terpenes, 2,3-octanedione and skatole accumulation in adipose tissue of young bulls. | Animal : an international journal of animal bioscience 20110201 |
| Freshness characterisation of whiting (Merlangius merlangus) using an SPME/GC/MS method and a statistical multivariate approach. | Journal of the science of food and agriculture 20101201 |
| Latency and persistence of diet volatile biomarkers in lamb fats. | Journal of agricultural and food chemistry 20090128 |
| Authentication of meat products: determination of animal feeding by parallel GC-MS analysis of three adipose tissues. | Journal of agricultural and food chemistry 20081112 |
| Effect of enhancement and ageing on flavor and volatile compounds in various beef muscles. | Meat science 20080501 |
| Fat volatiles tracers of grass feeding in sheep. | Meat science 20040201 |
| Aroma compounds formed from 3-methyl-2,4-nonanedione under photooxidative conditions. | Journal of agricultural and food chemistry 20030521 |
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