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Ethyl 3-hydroxybutyrate

Ethyl 3-hydroxybutyrate Basic information
Product Name:Ethyl 3-hydroxybutyrate
Synonyms:DL-ETHYL-3-HYDROXYBUTYRATE FOR SYNTHESIS;Ethyl 3-hydroxybutyr;Ethyl 3-hydroxybutyrate,99%;DL-3-Hydroxybutyric acid ethyl ester (liquid);Ethyl DL-3-Hydroxybutyrate DL-3-Hydroxybutyric Acid Ethyl Ester;3-HYDROXYBUTYRIC ACID ETHYL ESTER;3-HYDROXYBUTYRIC ETHYL ETHER;DL-3-HYDROXY-N-BUTYRIC ACID ETHYL ESTER
CAS:5405-41-4
MF:C6H12O3
MW:132.16
EINECS:226-456-2
Product Categories:Building Blocks;C6 to C7;C6 to C7;Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks;Carbonyl Compounds;Esters;Alphabetical Listings;E-F;Flavors and Fragrances;5405-41-4
Mol File:5405-41-4.mol
Ethyl 3-hydroxybutyrate Structure
Ethyl 3-hydroxybutyrate Chemical Properties
Boiling point 170 °C (lit.)
density 1.017 g/mL at 25 °C (lit.)
FEMA 3428 | ETHYL 3-HYDROXYBUTYRATE
refractive index n20/D 1.42(lit.)
Fp 148 °F
storage temp. Sealed in dry,2-8°C
solubility Chloroform (Slightly), Methanol (Slightly)
pka14.45±0.20(Predicted)
form Liquid
color Clear colorless
Odorat 100.00 %. fruity green grape tropical apple skin
Odor Typefruity
JECFA Number594
BRN 1446190
InChIKeyOMSUIQOIVADKIM-UHFFFAOYSA-N
LogP-0.02
CAS DataBase Reference5405-41-4(CAS DataBase Reference)
NIST Chemistry ReferenceButanoic acid, 3-hydroxy-, ethyl ester(5405-41-4)
EPA Substance Registry SystemEthyl 3-hydroxybutyrate (5405-41-4)
Safety Information
Safety Statements 23-24/25
RIDADR UN 2394
WGK Germany 3
TSCA Yes
HS Code 29181980
MSDS Information
ProviderLanguage
Ethyl 3-hydroxybutyrate English
SigmaAldrich English
ACROS English
ALFA English
Ethyl 3-hydroxybutyrate Usage And Synthesis
Chemical PropertiesEthyl-3-hydroxybutyrate is a clear colorless viscous liquid and has a fresh, fruity, grape odor. It is one of the main aroma components of wine. It occurs naturally in fruits such as pineapple, tamarillo fruit, caja fruit and naranjilla fruit.
OccurrenceReported found in passion fruit, rum, sherry, wine, orange juice, guava, pineapple, tea, mango, wood apple, mountain papaya, naranjilla fruit, quince and hog plum (Spondias mombins L.)
UsesEthyl 3-hydroxybutyrate is a fragrance found in wine and Tribolium castaneum. It is a reagent used to synthesize α-azido carboxylic acids. It is also used in Palladium mediated spiroketal synthesis.
DefinitionChEBI: 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.
PreparationEthyl 3-hydroxybutyrate is synthesized by catalytic hydrogenation of ethyl acetoacetate.
Taste threshold valuesTaste characteristics at 30 ppm: green, fruity and winy.
Synthesis Reference(s)The Journal of Organic Chemistry, 35, p. 3966, 1970 DOI: 10.1021/jo00836a087
Tetrahedron Letters, 31, p. 1615, 1990 DOI: 10.1016/0040-4039(90)80031-G
General DescriptionEthyl 3-hydroxybutyrate is a clear colorless liquid. (NTP, 1992)
Air & Water ReactionsWater soluble.
Reactivity ProfileEthyl 3-hydroxybutyrate is incompatible with strong oxidizing agents and strong bases.
Fire HazardEthyl 3-hydroxybutyrate is combustible.
Ethyl 3-hydroxybutyrate Preparation Products And Raw materials
Raw materialsEthyl acetoacetate-->1-Butanol
Preparation Productsbutyl 3-hydroxybutyrate-->Ethyl (S)-3-hydroxybutyrate
HYDROXYAPATITE TYPE I Trinexapac-ethyl Ethyl butyrate Ethanol Hydroxy silicone oil Butyric Acid Tris(trimethylsilyl)phosphate 3-Hydroxybutyric acid Ethylparaben ISOXADIFEN-ETHYL Ethyl acetate Ethyl propiolate Ethyl acrylate Methyl acrylate CHLOROPHOSPHONAZO III Ethyl S-4-chloro-3-hydroxybutyrate Glycolic acid Ethyl cyanoacetate
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