2,4-octane dione
2,4-octanedione
 
Notes:
None found
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CAS Number: 14090-87-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 237-937-1
FDA UNII: K72DM9EH73
Nikkaji Web: J144.377A
MDL: MFCD00015259
XlogP3-AA: 1.20 (est)
Molecular Weight: 142.19798000
Formula: C8 H14 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: information only not used for fragrances or flavors
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.92300 @  25.00 °C.
Refractive Index: 1.46100 @  20.00 °C.
Boiling Point: 204.00 to  205.00 °C. @ 760.00 mm Hg (est)
Boiling Point: 97.00 to  99.00 °C. @ 27.00 mm Hg
Vapor Pressure: 0.268000 mmHg @ 25.00 °C. (est)
Flash Point: 159.00 °F. TCC ( 71.00 °C. )
logP (o/w): 1.798 (est)
Soluble in:
 alcohol
 water, 4082 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Carbosynth
For experimental / research use only.
2,4-Octanedione
Santa Cruz Biotechnology
For experimental / research use only.
2,4-Octanedione
Sigma-Aldrich: Aldrich
For experimental / research use only.
2,4-Octanedione
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Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: information only not used for fragrances or flavors
Recommendation for 2,4-octane dione usage levels up to:
 not for fragrance use.
 
Recommendation for 2,4-octane dione flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 84192
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 octane-2,4-dione
Chemidplus: 0014090870
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References:
 octane-2,4-dione
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 84192
Pubchem (sid): 135042117
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
HMDB (The Human Metabolome Database): Search
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 octane-2,4-dione
2,4-octanedione
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Articles:
PubMed: Traceability of grass feeding in beef: terpenes, 2,3-octanedione and skatole accumulation in adipose tissue of young bulls.
PubMed: Freshness characterisation of whiting (Merlangius merlangus) using an SPME/GC/MS method and a statistical multivariate approach.
PubMed: Hypersensitivity in the luminescence and 4f-4f absorption properties of mono- and dinuclear EuIII and ErIII complexes based on fluorinated β-diketone and diimine/ bis-diimine ligands.
PubMed: Unusual stilbenoids and a stilbenolignan from seeds of Syagrus romanzoffiana.
PubMed: (Z)-1,3,4a-Trimethyl-5,5-diphenyl-6-oxa-1,3-diaza-bicyclo-[4.2.0]octane-2,4-dione.
PubMed: Aroma compounds formed from 3-methyl-2,4-nonanedione under photooxidative conditions.
PubMed: Synthesis and antibacterial activities of new 1 beta-methylcarbapenems having a 1,3-diazabicyclo[3.3.0]octan-2,4-dione moiety.
PubMed: Fat-borne volatiles and sheepmeat odour.
PubMed: A fast and simplein situ method for the determination of the absolute configuration of amino acid esters using the chiroptical properties of their Eu(FOD)3 complexes.
PubMed: Calcium transport by a beta-diketone in model membranes.
PubMed: A synthetic ionophore for Ca2+: studies with model and biological systems.
PubMed: [Hypnotic drugs. 2. Reaction of guanidine carboxamide with fluorinated beta-diketones].
PubMed: NMR study of amphetamines using europium shift reagents.
PubMed: [Bicyclic analogues of piperazine. X. (1)-N-Aminoderivatives of 3,8-diazabicyclo-(3.2.1)-octane, 3,8-diazabicyclo-3(3.2.1)-octane-2,4-dione and 2,6-dimethylpiperazine with potential pharmacologic activity].
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