Product

Ethyl 3-hydroxybutyrate

CAS No.：5405-41-4

Other grades of this product :

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
Mol File:	5405-41-4.mol

Ethyl 3-hydroxybutyrate Chemical Properties

Boiling point	170 °C (lit.)
density	1.017 g/mL at 25 °C (lit.)
refractive index	n20/D 1.42(lit.)
FEMA	3428 \| ETHYL 3-HYDROXYBUTYRATE
Fp	148 °F
storage temp.	Sealed in dry,2-8°C
solubility	Chloroform (Slightly), Methanol (Slightly)
pka	14.45±0.20(Predicted)
form	Liquid
color	Clear colorless
JECFA Number	594
BRN	1446190
InChIKey	OMSUIQOIVADKIM-UHFFFAOYSA-N
CAS DataBase Reference	5405-41-4(CAS DataBase Reference)
NIST Chemistry Reference	Butanoic acid, 3-hydroxy-, ethyl ester(5405-41-4)
EPA Substance Registry System	Ethyl 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

Provider	Language
Ethyl 3-hydroxybutyrate	English
SigmaAldrich	English
ACROS	English
ALFA	English

Ethyl 3-hydroxybutyrate Usage And Synthesis

Chemical Properties	Ethyl-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.
Occurrence	Reported 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.)
Uses	Ethyl 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.
Definition	ChEBI: 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.
Preparation	Ethyl 3-hydroxybutyrate is synthesized by catalytic hydrogenation of ethyl acetoacetate.
Taste threshold values	Taste characteristics at 30 ppm: green, fruity and winy.
Synthesis Reference(s)	The Journal of Organic Chemistry, 35, p. 3966, 1970 DOI: 10.1021/jo00836a087Tetrahedron Letters, 31, p. 1615, 1990 DOI: 10.1016/0040-4039(90)80031-G
General Description	Ethyl 3-hydroxybutyrate is a clear colorless liquid. (NTP, 1992)
Air & Water Reactions	Water soluble.
Reactivity Profile	Ethyl 3-hydroxybutyrate is incompatible with strong oxidizing agents and strong bases.
Fire Hazard	Ethyl 3-hydroxybutyrate is combustible.

Ethyl 3-hydroxybutyrate Preparation Products And Raw materials

Raw materials	Ethyl acetoacetate-->1-Butanol
Preparation Products	butyl 3-hydroxybutyrate-->Ethyl (S)-3-hydroxybutyrate

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