| Identification | Back Directory | [Name]
2,3 OCTANEDIONE | [CAS]
585-25-1 | [Synonyms]
2,3-Octadione
2,3-Octandione
Acetyl caproyl
2,3 OCTANEDIONE
octane-2,3-dione
Pentylmethyl diketone
Pentyl methyl diketone | [EINECS(EC#)]
209-552-9 | [Molecular Formula]
C8H14O2 | [MDL Number]
MFCD06796191 | [MOL File]
585-25-1.mol | [Molecular Weight]
142.2 |
| Chemical Properties | Back Directory | [Boiling point ]
173 °C | [density ]
0.9311 g/cm3 | [FEMA ]
4060 | 2,3-OCTANEDIONE | [solubility ]
Slightly soluble in water, soluble in alcohol and oils, in propylene glycol and Glycerin. | [Odor]
at 10.00 % in dipropylene glycol. dill asparagus cilantro herbal aldehydic earthy fatty cortex | [Odor Type]
dill | [JECFA Number]
2036 | [InChI]
InChI=1S/C8H14O2/c1-3-4-5-6-8(10)7(2)9/h3-6H2,1-2H3 | [InChIKey]
XCBBNTFYSLADTO-UHFFFAOYSA-N | [SMILES]
CC(=O)C(=O)CCCCC | [LogP]
0.79 |
| Hazard Information | Back Directory | [Chemical Properties]
2,3-Octanedione has a “warmed-over” flavor (off-flavor). | [Occurrence]
Reportedly present in fish, turkey, chicken, beef, lamb, mutton, coffee, tea, peanut, mushroom, prickly pear
and lavage leaf. | [Uses]
The title Octane-2,3-dione is used on a very limited
scale in perfume compositions, mainly as a
trace component in topnote compositions,
}vhere it gives interesting effects in the presence
of Civet and Phenylacetic acid, or certain
Labdanum products, etc. It is also of good
use in Ylang Ylang compositions and in many
other flower bases. | [Definition]
ChEBI: 2,3-Octanedione is an alpha-diketone. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 59, p. 6338, 1994 DOI: 10.1021/jo00100a040 | [Synthesis]
Octane-2,3-dione is prepared in three steps. 1) Preparation of composite catalyst: 5-Methoxytriazole is refluxed with chlorobenzene and acetonitrile to give component 1 (5-methoxy-triphenyl-1,2,4-triazolium salt). 5-Methoxythiazole is refluxed with benzyl |
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