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| | Ethyl 3-hydroxybutyrate Basic information |
| | 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 | | Odor | at 100.00 %. fruity green grape tropical apple skin | | Odor Type | fruity | | biological source | synthetic | | JECFA Number | 594 | | BRN | 1446190 | | Cosmetics Ingredients Functions | PERFUMING | | InChI | 1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3 | | InChIKey | OMSUIQOIVADKIM-UHFFFAOYSA-N | | SMILES | CCOC(=O)CC(C)O | | LogP | -0.02 | | 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 Statements | 23-24/25 | | RIDADR | UN 2394 | | WGK Germany | 3 | | TSCA | TSCA listed | | HazardClass | CBL | | HS Code | 29181980 | | Storage Class | 10 - Combustible liquids |
| | 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/jo00836a087
Tetrahedron 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 |
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