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24915-95-5

Basic Information
CAS No.: 24915-95-5
Name: Ethyl (R)-3-hydroxybutyrate
Article Data: 185
Molecular Structure:
Molecular Structure of 24915-95-5 (Ethyl (R)-3-hydroxybutyrate)
Formula: C6H12O3
Molecular Weight: 132.159
Synonyms: Butanoicacid, 3-hydroxy-, ethyl ester, (R)-;Butyric acid, 3-hydroxy-, ethyl ester,(-)- (8CI);(-)-Ethyl 3-hydroxybutyrate;(3R)-3-Hydroxybutanoic acid ethylester;(R)-(-)-Ethyl 3-hydroxybutyrate;(R)-3-Hydroxybutanoic acid ethyl ester;(R)-3-Hydroxybutyric acid ethyl ester;(R)-Ethyl 3-hydroxybutanoate;(R)-Ethyl3-hydroxybutyrate;(R)-Ethyl b-hydroxybutyrate;D-3-Hydroxybutyric acid ethyl ester;Ethyl (-)-b-hydroxybutyrate;
Density: 1.025 g/cm3
Boiling Point: 174.999 °C at 760 mmHg
Flash Point: 64.444 °C
Solubility: soluble
Appearance: clear colorless liquid
Risk Codes: 36/37/38
Safety: 24/25
PSA: 46.53000
LogP: 0.32040
Synthetic route
141-97-9

ethyl acetoacetate

24915-95-5

Ethyl (R)-3-hydroxybutanoate

Conditions
ConditionsYield
With (S)-4,12-bis(diphenylphosphino)-<2.2>paracyclophane-Ru(II)bis(trifluoroacetate); hydrogen; tetra-(n-butyl)ammonium iodide In methanol; water at -5℃; under 2585.7 Torr; for 18h;100%
With hydrogen; Ru(R-Xyl-P-Phos)(C6H6)Cl2 In ethanol; dichloromethane at 70℃; under 10343 Torr; for 1h;100%
With [(+)-N,N'-Me2-3,3'-(Ph2P)2-1,1'-biindole]RuCl2; hydrogen In methanol; water at 45℃; under 79805.4 Torr; for 0.5h;100%
5405-41-4

ethyl 3-hydroxybutyrate

24915-95-5

Ethyl (R)-3-hydroxybutanoate

Conditions
ConditionsYield
With alcohol dehydrogenase from Thermoanaerobium brockii; NADH-specific (R)-selective-ADH; YcnD-oxidoreductase at 30℃; for 24h; pH=7.5; aq. buffer; Resolution of racemate; Enzymatic reaction; optical yield given as %ee; enantiospecific reaction;99%
1006696-12-3

(R)-ethyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanoate

24915-95-5

Ethyl (R)-3-hydroxybutanoate

Conditions
ConditionsYield
With sodium perborate In tetrahydrofuran; water at 20℃;94%
With sodium peroxoborate tetrahydrate In tetrahydrofuran; water at 20℃; for 3h;84%
With sodium perborate tetrahydrate In tetrahydrofuran; water Inert atmosphere;
141-97-9

ethyl acetoacetate

A

24915-95-5

Ethyl (R)-3-hydroxybutanoate

B

56816-01-4

ethyl (S)-3-hydroxybutyrate

Conditions
ConditionsYield
With citrate-phosphate-borate buffer for 24h; Ambient temperature; baker's yeast immobilized in calcium alginate; Title compound not separated from byproducts;A n/a
B 85%
With Convolvulus sepium for 120h; pH=5.8; aq. phosphate buffer; optical yield given as %ee;A n/a
B 70%
yeast Conversion of starting material; Enzymatic reaction;A n/a
B 26%
64-17-5

ethanol

PHB/PHV biopolymer

PHB/PHV biopolymer

A

24915-95-5

Ethyl (R)-3-hydroxybutanoate

Conditions
ConditionsYield
With sulfuric acid In 1,2-dichloro-ethane for 48h; Heating;A 84%
B 59%
poly-(3(R)-hydroxy butyric acid

poly-(3(R)-hydroxy butyric acid

24915-95-5

Ethyl (R)-3-hydroxybutanoate

Conditions
ConditionsYield
With sulfuric acid In ethanol Heating;83%
64-17-5

ethanol

poly((R)-hydroxybutanoate)

poly((R)-hydroxybutanoate)

24915-95-5

Ethyl (R)-3-hydroxybutanoate

Conditions
ConditionsYield
With sulfuric acid In 1,2-dichloro-ethane Heating;82%
64-17-5

ethanol

poly-(R)-3-hydroxybutyrate

poly-(R)-3-hydroxybutyrate

24915-95-5

Ethyl (R)-3-hydroxybutanoate

Conditions
ConditionsYield
With sulfuric acid In 1,2-dichloro-ethane for 75h; Reflux;81%
poly-β-hydroxybutyrate (PHB)

poly-β-hydroxybutyrate (PHB)

24915-95-5

Ethyl (R)-3-hydroxybutanoate

Conditions
ConditionsYield
With sulfuric acid In ethanol; 1,2-dichloro-ethane for 37h; Heating; Irradiation;80%
64-17-5

ethanol

poly-3(R)-hydroxybutyrate

poly-3(R)-hydroxybutyrate

24915-95-5

Ethyl (R)-3-hydroxybutanoate

Conditions
ConditionsYield
With sulfuric acid In 1,2-dichloro-ethane for 96h; Heating;71%
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Specification

This chemical is called Butanoic acid, 3-hydroxy-, ethyl ester, (3R)-, and its CAS registry number is 24915-95-5. With the molecular formula of  C6H12O3, its product categories are Alcohols, Hydroxy Esters and Derivatives; Chiral Compounds; Chiral Building Blocks; Simple Alcohols (Chiral); Synthetic Organic Chemistry; Chiral Building Blocks. In addition, this chemical should be sealed in the cool and dry place, away from oxides.

Other characteristics of the Butanoic acid, 3-hydroxy-, ethyl ester, (3R)- can be summarised as followings: (1)ACD/LogP: 0.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.098; (4)ACD/LogD (pH 7.4): 0.098; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 26.922; (8)ACD/KOC (pH 7.4): 26.922; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 46.53 Å2; (13)Index of Refraction: 1.427; (14)Molar Refractivity: 33.114 cm3; (15)Molar Volume: 128.941 cm3; (16)Polarizability: 13.128×10-24cm3; (17)Surface Tension: 33.285 dyne/cm; (18)Density: 1.025 g/cm3; (19)Flash Point: 64.444 °C; (20)Enthalpy of Vaporization: 47.888 kJ/mol; (21)Boiling Point: 174.999 °C at 760 mmHg; (22)Vapour Pressure: 0.362 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing to avoid contacting with skin and eyes. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: CCOC(=O)C[C@@H](C)O
2.InChI: InChI=1/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3/t5-/m1/s1
3.InChIKey: OMSUIQOIVADKIM-RXMQYKEDBL