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Cas Database |
| Name |
Ethyl 3-hydroxybutyrate |
EINECS | 226-456-2 |
| CAS No. | 5405-41-4 | Density | 1.024 g/cm3 |
| PSA | 46.53000 | LogP | 0.32040 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H12O3 | Boiling Point | 175 °C at 760 mmHg |
| Molecular Weight | 132.159 | Flash Point | 64.4 °C |
| Transport Information | UN 2394 | Appearance | clear colorless liquid |
| Safety | 23-24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Butyricacid, 3-hydroxy-, ethyl ester (6CI,7CI,8CI);Butyric acid, b-hydroxy-, ethyl ester (4CI);3-Hydroxybutanoic acid ethyl ester;3-Hydroxybutyric acid ethyl ester;DL-3-Hydroxy-n-butyrate ethyl ester;Ethyl (?à)-3-hydroxybutanoate;Butanoic acid,3-hydroxy-, ethyl ester;Ethyl DL-3-hydroxybutyrate;Ethyl b-hydroxybutyrate;NSC 42916;NSC8115; |
Article Data | 114 |
Ethyl 3-hydroxybutyrate Chemical Properties
Molecule structure of Ethyl 3-hydroxybutyrate (CAS NO.5405-41-4):
IUPAC Name: Ethyl 3-hydroxybutanoate
Molecular Weight: 132.15768 g/mol
Molecular Formula: C6H12O3
Density: 1.024 g/cm3
Boiling Point: 175 °C at 760 mmHg
Flash Point: 64.4 °C
Index of Refraction: 1.427
Molar Refractivity: 33.11 cm3
Molar Volume: 128.9 cm3
Surface Tension: 33.2 dyne/cm
Enthalpy of Vaporization: 47.89 kJ/mol
Vapour Pressure: 0.362 mmHg at 25 °C
XLogP3-AA: 0.2
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 4
Exact Mass: 132.078644
MonoIsotopic Mass: 132.078644
Topological Polar Surface Area: 46.5
Heavy Atom Count: 9
Canonical SMILES: CCOC(=O)CC(C)O
InChI: InChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3
InChIKey: OMSUIQOIVADKIM-UHFFFAOYSA-N
EINECS: 226-456-2
Product Categories: C6 to C7;Carbonyl Compounds;Esters;Alphabetical Listings;E-F;Flavors and Fragrances
Ethyl 3-hydroxybutyrate Uses
Ethyl 3-hydroxybutyrate (CAS NO.5405-41-4) is used as food flavors.
Ethyl 3-hydroxybutyrate Production
Ethyl 3-hydroxybutyrate is formed by the catalytic hydrogenation of ethyl acetoacetate .
Ethyl 3-hydroxybutyrate Safety Profile
Safety Statements: 23-24/25
S23:Do not breathe vapour.
S24/25:Avoid contact with skin and eyes.
RIDADR: UN 2394
WGK Germany: 3
HS Code: 29181980
Ethyl 3-hydroxybutyrate Specification
Ethyl 3-hydroxybutyrate (CAS NO.5405-41-4) is also named as AI3-11592 ; Butanoic acid, 3-hydroxy-, ethyl ester ; Butyric acid, 3-hydroxy-, ethyl ester ; Ethyl 3-hydroxybutanoate ; Ethyl 3-hydroxybutyrate (natural) ; Ethyl beta-hydroxybutyrate ; FEMA No. 3428 ; NSC 42916 ; NSC 8115 . Ethyl 3-hydroxybutyrate (CAS NO.5405-41-4) is clear colorless liquid. It is soluble in water. Ethyl 3-hydroxybutyrate is incompatible with strong oxidizing agents and strong bases. It is combustible.
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