EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

2,4-hexane dione
propionylacetone

Supplier Sponsors

CAS Number: 3002-24-2Picture of molecule3D/inchi
FDA UNII: FMD32E86EP
Nikkaji Web:J35.921A
Beilstein Number:1071471
XlogP3-AA:0.30 (est)
Molecular Weight:114.14410000
Formula:C6 H10 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge 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
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 160.00 °C. @ 760.00 mm Hg
Vapor Pressure:2.297000 mmHg @ 25.00 °C. (est)
Flash Point: 128.00 °F. TCC ( 53.60 °C. ) (est)
logP (o/w): 0.779 (est)
Soluble in:
 water, 3.618e+004 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
hexane-2,4-dione 95%
Carbosynth
For experimental / research use only.
2,4-Hexanedione
Santa Cruz Biotechnology
For experimental / research use only.
Hexane-2,4-dione
 
Safety Information:
 
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:
intraperitoneal-mouse LD > 500 mg/kg
"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 221, 1954.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
information only not used for fragrances or flavors
Recommendation for 2,4-hexane dione usage levels up to:
 not for fragrance use.
 
Recommendation for 2,4-hexane dione flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):3002-24-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :76355
National Institute of Allergy and Infectious Diseases:Data
hexane-2,4-dione
Chemidplus:0003002242
 
References:
 hexane-2,4-dione
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:3002-24-2
Pubchem (cid):76355
Pubchem (sid):135036289
 
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
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 acetone, propionyl-
 hexane-2,4-dione
2,4-hexanedione
 propionylacetone
 

Articles:

PubMed:Effect of the capping ligand on luminescent erbium(III) β-diketonate single-ion magnets.
PubMed:Structure and NIR-luminescence of ytterbium(III) beta-diketonate complexes with 5-nitro-1,10-phenanthroline ancillary ligand: assessment of chain length and fluorination impact.
PubMed:Synthesis and structures of tridentate ketoiminate zinc complexes bearing trifluoromethyl substituents that act as L-lactide ring opening polymerization initiators.
PubMed:Feruloylacetone as the model compound of half-curcumin: synthesis and antioxidant properties.
PubMed:Metal extraction from water and organic solvents into fluorous solvents by fluorinated beta-diketone and its application to the colorimetric analysis of metal ions.
PubMed:Quantitative structure-activity relationship studies for prediction of antimicrobial activity of synthesized 2,4-hexadienoic acid derivatives.
PubMed:Perfluorocarbon-based liquid-liquid extraction for separation of transition metal ions.
PubMed:The role of water in drug-receptor interactions.
PubMed:Richness of isomerism in labile octahedral Werner-type cobalt(II) complexes demonstrated by 19F NMR spectroscopy: structure and stability.
PubMed:Engineering tumor-targeted gadolinium hexanedione nanoparticles for potential application in neutron capture therapy.
PubMed:Amino acid and protein targets of 1,2-diacetylbenzene, a potent aromatic gamma-diketone that induces proximal neurofilamentous axonopathy.
PubMed:Analysis of the in vitro inhibition of murine and human tumor cell growth by pyrazole derivatives and a substituted azabicyclo [3.1.0] hexane-2,4-dione.
PubMed:Synthesis of the O-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine oximes of selected carbonyl compounds and their determination by liquid chromatography with ultraviolet detection.
PubMed:Hypolipidemic activity of 6-alkoxycarbonyl-3-aryl-1,3,5- triazabicyclo[3.1.0]hexane-2,4-diones and 2-alkoxycarbonyl-5-aryl-1,3,5-triazine-4,6(1H,5H)-diones in rodents.
PubMed:Synthesis, characterization and biodistribution of tris(beta-diketonato)technetium(III) complexes.
PubMed:Analogues of aminoglutethimide based on 1-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione: selective inhibition of aromatase activity.
PubMed:Effect of hexacarbons on selected lipids in developing rat brain and peripheral nerves.
PubMed:Hexahydrocarbon effects on intermediate filament organization in human fibroblasts.
PubMed:Further observations on in vitro and in vivo effects of 2,5-hexanedione on glyceraldehyde-3-phosphate dehydrogenase.
PubMed:[An experimental study on neurotoxicity of 2,5-hexanedione. Visual and somatosensory cortical evoked potentials in rats].
PubMed:Molecular mechanism of hexane neuropathy: significant differences in pharmacokinetics between 2.3-, 2.4-, and 2.5-hexanedione.
PubMed:Ultrastructural studies of the dying-back process. VI. Examination of nerve fibers undergoing giant axonal degeneration in organotypic culture.
PubMed:Covalent binding of a neurotoxic n-hexane metabolite: conversion of primary amines to substituted pyrrole adducts by 2,5-hexanedione.
PubMed:Urinary excretion of n-hexane metabolites. A comparative study in rat, rabbit and monkey.
PubMed:The relationship of glucose utilization and morphological change in the visual system in hexacarbon neuropathy.
PubMed:Ultrastructural studies of the dying-back process. V. Axonal neurofilaments accumulate at sites of 2,5-hexanedione application: evidence for nerve fibre dysfunction in experimental hexacarbon neuropathy.
PubMed:Adenosine cyclic 3',5',-monophosphate phosphodiesterasr inhibitors. 2.3-Substituted 5,7-dialkylpyrazolo [1,5-a]pyrimidines.
 
Notes:
None found
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