3-hexene-2,5-dione
1,2-diacetylethylene
 
Notes:
None found
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CAS Number: 4436-75-3Picture of molecule3D/inchi
XlogP3-AA: -0.10 (est)
Molecular Weight: 112.12816000
Formula: C6 H8 O2
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Category: information only not used for fragrances or flavors
 
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Soluble in:
 water, 3.459e+004 mg/L @ 25 °C (est)
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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:
 None found
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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:
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 3-hexene-2,5-dione usage levels up to:
 not for fragrance use.
 
Recommendation for 3-hexene-2,5-dione flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
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EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 13177
National Institute of Allergy and Infectious Diseases: Data
 hex-3-ene-2,5-dione
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References:
 hex-3-ene-2,5-dione
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 13177
Pubchem (sid): 29281342
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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:
1,2-diacetyl ethylene
1,2-diacetylethylene
 hex-3-ene-2,5-dione
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Articles:
PubMed: Products of the OH radical-initiated reactions of furan, 2- and 3-methylfuran, and 2,3- and 2,5-dimethylfuran in the presence of NO.
PubMed: Combination of enzyme- and Lewis acid-catalyzed reactions: a new method for the synthesis of 6,7-dihydrobenzofuran-4(5H)-ones starting from 2,5-dimethylfuran and 1,3-cyclohexanediones.
PubMed: Rate constants for the reactions of OH radicals with 1,2,4,5-tetramethylbenzene, pentamethylbenzene, 2,4,5-trimethylbenzaldehyde, 2,4,5-trimethylphenol, and 3-methyl-3-hexene-2,5-dione and products of OH + 1,2,4,5-tetramethylbenzene.
PubMed: Kinetics of the reactions of OH radicals with 2- and 3-methylfuran, 2,3- and 2,5-dimethylfuran, and E- and Z-3-hexene-2,5-dione, and products of OH + 2,5-dimethylfuran.
PubMed: Two new butenolide derivatives from Saussurea katochaete.
PubMed: gamma-Hydroxyalkynyl ketones as useful scaffolds for the preparation of combinatorial libraries of furans, isoxazoles and pyrazoles.
PubMed: OH radical-initiated reaction of 3-hexene-2,5-dione: formation of methylglyoxal.
PubMed: Products of the OH radical-initiated reaction of 3-hexene-2,5-dione.
PubMed: Study of the OH-Initiated Degradation of the Aromatic Photooxidation Product 3,4-Dihydroxy-3-hexene-2,5-dione.
PubMed: Atmospheric Chemistry of Unsaturated Carbonyls: Butenedial, 4-Oxo-2-pentenal, 3-Hexene-2,5-dione, Maleic Anhydride, 3H-Furan-2-one, and 5-Methyl-3H-furan-2-one.
PubMed: Atmospheric chemistry of cis- and trans-3-hexene-2,5-dione.
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