2,3-Hexanedione
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2,3-Hexanedione
structure -
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CAS No:
3848-24-6
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Formula:
C6H10O2
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Chemical Name:
2,3-Hexanedione
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Synonyms:
2,3-Hexanedione;Acetylbutyryl;NSC 31665
- Categories:
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CAS No:
Description
2,3-Hexanedione has a powerful, creamy, sweet and buttery odor (less than diacetyl) and a buttery cheese taste. yellow liquid
2,3-hexanedione is a yellow liquid. Sharp penetrating odor in high concentrations. Sweet, aromatic odor when diluted. (NTP, 1992)|yellow, oily liquid with a butter-sweet odour
2,3-hexanedione is a yellow liquid. Sharp penetrating odor in high concentrations. Sweet, aromatic odor when diluted. (NTP, 1992)|Hexane-2,3-dione is an alpha-diketone that is hexane substituted by oxo groups at positions 2 and 3 respectively. It has a role as a metabolite.
2,3-Hexanedione Basic Attributes
114.14
114.14
1699896
223-350-8
559ANR3NVS
31665
1224
DTXSID2047066
2914190090
Characteristics
34.1
-0.27
2,3-hexanedione is a yellow liquid. Sharp penetrating odor in high concentrations. Sweet, aromatic odor when diluted. (NTP, 1992)
0.9353 g/cm3 @ Temp: 20 °C
-30 °C
128-130 °C
83 °F
1.406
Partly miscible in water.
Flammables area
10 mm Hg ( 20 °C)
3.9 (vs air)
LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg
1.2-5.9%(V)
Highly flammable. Insoluble in water.
Ketones
Highly Flammable
2,3-HEXANEDIONE is incompatible with strong oxidizing agents and strong bases. (NTP, 1992)
Safety Information
III
3
UN 1224 3/PG 3
2
10-36/37/38
26-36/37/39-16
MO3140000
Xi
Stable. Flammable. Incompatible with strong bases, strong oxidizing agents.
P261-P305 + P351 + P338
H226-H315-H319-H335
This chemical is flammable. (NTP, 1992)
|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P314, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 1506 companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]: As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet). FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)
SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. STORAGE PRECAUTIONS: You should store this chemical in an explosion-proof refrigerator and keep it away from oxidizing materials. STORE AWAY FROM SOURCES OF IGNITION. (NTP, 1992)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Drug Information
SYMPTOMS: Symptoms of exposure to this compound include irritation of the skin, eyes, mucous membranes and upper respiratory tract. ACUTE/CHRONIC HAZARDS: The vapor and mists of this compound are irritants to the skin, eyes, mucous membranes and upper respiratory tract. When heated to decomposition it emits toxic fumes of carbon monoxide and carbon dioxide. (NTP, 1992)
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)
2,3-hexanedione
2,3-Hexanedione Use and Manufacturing
It is obtained by condensation polymerization of propionaldehyde and ethyl acetoacetate, oxidation (H2O2 and sodium tungstate), hydrolysis and decarboxylation. Or from methyl butanone and ethyl acetone through monooxime.
GB 2760-1997 stipulates the permitted food spices.
2,3-Hexanedione: ACTIVE
Food additives -> Flavoring Agents|Fatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]
Flavoring Agents
Computed Properties
Molecular Weight:114.14
XLogP3:0.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:114.068079557
Monoisotopic Mass:114.068079557
Topological Polar Surface Area:34.1
Heavy Atom Count:8
Complexity:105
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 2,3-Hexanedione
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