Ethyl 3-hydroxybutyrate
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Ethyl 3-hydroxybutyrate
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CAS No:
5405-41-4
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Formula:
C6H12O3
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Chemical Name:
Ethyl 3-hydroxybutyrate
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Synonyms:
Butanoic acid,3-hydroxy-,ethyl ester;Butyric acid,3-hydroxy-,ethyl ester;Butyric acid,β-hydroxy-,ethyl ester;Ethyl 3-hydroxybutyrate;Ethyl 3-hydroxybutanoate;Ethyl β-hydroxybutyrate;3-Hydroxybutanoic acid ethyl ester;3-Hydroxybutyric acid ethyl ester;Ethyl DL-3-hydroxybutyrate;(±)-3-Hydroxybutanoic acid ethyl ester;(±)-Ethyl 3-hydroxybutyrate;Ethyl (±)-3-hydroxybutanoate;NSC 42916;NSC 8115;DL-3-Hydroxy-n-butyrate ethyl ester;35608-64-1
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CAS No:
Description
clear colorless liquid Ethyl-3-hydroxybutyrate has a fresh, fruity, grape odor.
Ethyl 3-hydroxybutyrate is a clear colorless liquid. (NTP, 1992)|colourless viscous liquid with fruity grape green odour
Ethyl 3-hydroxybutyrate is a clear colorless liquid. (NTP, 1992)|Ethyl 3-hydroxybutyrate is the fatty acid ethyl ester of 3-hydroxybutyric acid. It has a role as a metabolite. It derives from a 3-hydroxybutyric acid.
Ethyl 3-hydroxybutyrate Basic Attributes
132.16
132.16
226-456-2
42916|8115
1993
DTXSID6025305
29181980
Characteristics
46.5
0.2
Clear colorless Liquid
1.017 g/cm3 @ Temp: 20 °C
185 °C
148 °F
1.427
greater than or equal to 100 mg/mL at 73° F (NTP, 1992)
Store below +30°C.
Water soluble.
Alcohols and Polyols
ETHYL 3-HYDROXYBUTYRATE is incompatible with strong oxidizing agents and strong bases. (NTP, 1992)
Safety Information
UN 2394
3
23-24/25
Stable under normal temperatures and pressures.
P210, P280, P370+P378, P403+P235, P501
H227
This chemical is combustible. (NTP, 1992)
|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1635 companies from 3 notifications to the ECHA C&L Inventory.|H227: Combustible liquid [Warning Flammable liquids]|P210, P280, P370+P378, P403+P235, and P501
Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: 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 should spill this chemical, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated 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 material under ambient temperatures, and keep away from oxidizing materials. (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: This compound may cause irritation. ACUTE/CHRONIC HAZARDS: This compound may be harmful by inhalation, ingestion or skin absorption. It may cause irritation. 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)
(R)-ethyl 3-hydroxybutyrate
Ethyl 3-hydroxybutyrate Use and Manufacturing
It is formed by catalytic hydrogenation of ethyl acetoacetate.
GB 2760-1996 stipulates the permitted food spices.
Butanoic acid, 3-hydroxy-, ethyl ester: ACTIVE
EPA Safer Chemical Functional Use Classes -> Solvents|Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern|Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:132.16
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:132.078644241
Monoisotopic Mass:132.078644241
Topological Polar Surface Area:46.5
Heavy Atom Count:9
Complexity:90.3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of Ethyl 3-hydroxybutyrate
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