| Identification | More | [Name]
Ethyl 3-hydroxybutyrate | [CAS]
5405-41-4 | [Synonyms]
3-HYDROXYBUTYRIC ACID ETHYL ESTER
3-HYDROXYBUTYRIC ETHYL ETHER
BETA-HYDROXY-N-BUTYRIC ACID ETHYL ESTER
DL-3-HYDROXYBUTYRIC ACID ETHYL ESTER
DL-3-HYDROXY-N-BUTYRIC ACID ETHYL ESTER
DL-ETHYL-3-HYDROXYBUTYRATE
ETHOXIFF
ETHYL 3-HYDROXYBUTYRATE
ETHYL DL-3-HYDROXYBUTYRATE
ETHYL DL-3-HYDROXY-N-BUTYRATE
FEMA 3428
3-hydroxy-butanoicaciethylester
Butanoicacid,3-hydroxy-,ethylester
Butyric acid, 3-hydroxy-, ethyl ester
CH3CH(OH)CH2C(O)OC2H5
dl-beta-Hydroxy-n-butyric acid ethyl ester
Ethyl 3-hydroxybutanoate
Ethyl beta-hydroxybutyrate
3-Hydroxyburyric acid ethylester
ETHYL 3-HYDROXYBUTYRATE 97+% | [EINECS(EC#)]
226-456-2 | [Molecular Formula]
C6H12O3 | [MDL Number]
MFCD00004545 | [Molecular Weight]
132.16 | [MOL File]
5405-41-4.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless liquid | [Boiling point ]
170 °C (lit.) | [density ]
1.017 g/mL at 25 °C(lit.)
| [FEMA ]
3428 | [refractive index ]
n20/D 1.42(lit.)
| [Fp ]
148 °F
| [storage temp. ]
Sealed in dry,2-8°C | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Liquid | [pka]
14.45±0.20(Predicted) | [color ]
Clear colorless | [Odor]
at 100.00 %. fruity green grape tropical apple skin | [biological source]
synthetic | [Odor Type]
fruity | [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]
5405-41-4(EPA Substance) |
| Hazard Information | Back Directory | [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(5405-41-4) is incompatible with strong oxidizing agents and strong bases. | [Fire Hazard]
Ethyl 3-hydroxybutyrate is combustible. | [storage]
Store at -20°C |
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