-
Name
Ethyl 3-hydroxybutyrate
- EINECS 226-456-2
- CAS No. 5405-41-4
- Article Data114
- CAS DataBase
- Density 1.024 g/cm3
- Solubility
- Melting Point
- 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
-
Molecular Structure
- Hazard Symbols
- 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;
- PSA 46.53000
- LogP 0.32040
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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