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| CAS No.: | 6168-83-8 |
|---|---|
| Name: | (S)-3-HYDROXYBUTYRIC ACID |
| Article Data: | 47 |
| Molecular Structure: | |
|
|
|
| Formula: | C4H8 O3 |
| Molecular Weight: | 104.106 |
| Synonyms: | Butanoicacid, 3-hydroxy-, (S)-; Butyric acid, 3-hydroxy-, L- (8CI);(+)-3-Hydroxy-n-butyric acid; (+)-3-Hydroxybutyric acid; (3S)-3-Hydroxybutyricacid; (S)-(+)-b-Hydroxybutyricacid; (S)-3-Hydroxybutanoic acid; (S)-3-Hydroxybutyric acid; (S)-b-Hydroxybutanoic acid;L-(+)-3-Hydroxybutyric acid; L-3-Hydroxybutyric acid; L-b-Hydroxybutyric acid |
| EINECS: | 228-209-4 |
| Density: | 1.195 g/cm3 |
| Melting Point: | 45-48 °C |
| Boiling Point: | 269.2 °C at 760 mmHg |
| Flash Point: | 121 °C |
| Hazard Symbols: |
|
| Risk Codes: | R36/37/38 |
| Safety: | 26-36 |
| PSA: | 57.53000 |
| LogP: | -0.15810 |
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- 65058-82-4
(S)-(-)-β-methyl-β-propiolactone
- 6168-83-8
(S)-3-Hydroxybutanoic Acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water at 0℃; for 0.333333h; | 71% |
| With hydrogenchloride In diethyl ether; water for 18h; pH=2; | 63% |
- 53562-86-0
(S)-3-hydroxybutyric acid methyl ester
- 6168-83-8
(S)-3-Hydroxybutanoic Acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water for 36h; | 53% |
| With water; potassium hydroxide at 0 - 20℃; for 32h; | 50% |
| With potassium hydroxide In ethanol at 25℃; for 48h; | |
| With potassium hydroxide | |
| With potassium hydroxide at 20℃; for 72h; |
- 65058-82-4
(S)-(-)-β-methyl-β-propiolactone
A
- 6168-83-8
(S)-3-Hydroxybutanoic Acid
B
- 115395-16-9
(R)-3-Mercaptobuttersaeure
| Conditions | Yield |
|---|---|
| With sodium hydrogensulfide In water 0 deg C, 1 h, then room temp., 24 h; Yields of byproduct given; | A n/a B 47% |
| Conditions | Yield |
|---|---|
| With Rhodococcus erythropolis SET1 cells In aq. phosphate buffer at 25℃; for 24h; pH=7; Microbiological reaction; enantioselective reaction; | 42% |
| With hydrogenchloride | |
| With bacterial isolate In aq. phosphate buffer at 15℃; pH=7.2; | n/a |
| Conditions | Yield |
|---|---|
| With phosphate buffer at 30℃; for 24h; Candida boidinii KK912 (IFO 10574); | A 32% B 13% |
| Conditions | Yield |
|---|---|
| With cis-nitrous acid nachfolgend Verseifen; |
| Conditions | Yield |
|---|---|
| With cis-nitrous acid nachfolgend Verseifen; |
| Conditions | Yield |
|---|---|
| bei der Einw. von Bact. ascendens; |
| Conditions | Yield |
|---|---|
| bei der Reduktion durch gaerende Hefe; | |
| durch ein stereospezifisches Enzym aus Schweinenieren-Extrakt; |
- 300-85-6, 625-71-8
3-Hydroxybutyric acid
- 6168-83-8
(S)-3-Hydroxybutanoic Acid
| Conditions | Yield |
|---|---|
| Man laesst auf der Ammoniumsalzloesung Aspergillus griseus wachsen; |
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Chemistry
Molecular structure of (S)-3-Hydroxybutyric acid (CAS NO.6168-83-8) is:
Product Name: (S)-3-Hydroxybutyric acid
CAS Registry Number: 6168-83-8
IUPAC Name: (3S)-3-hydroxybutanoic acid
Molecular Weight: 104.10452 [g/mol]
Molecular Formula: C4H8O3
XLogP3-AA: -0.5
H-Bond Donor: 2
H-Bond Acceptor: 3
Melting Point: 45-48 °C
Storage temp.: 2-8 °C
Index of Refraction: 1.455
Molar Refractivity: 23.63 cm3
Molar Volume: 87 cm3
Surface Tension: 46.3 dyne/cm
Density: 1.195 g/cm3
Flash Point: 121 °C
Enthalpy of Vaporization: 58.91 kJ/mol
Boiling Point: 269.2 °C at 760 mmHg
Vapour Pressure: 0.000979 mmHg at 25°C
EINECS: 228-209-4
Product Categories: Carboxylic Acids;Chiral Building Blocks;Organic Building Blocks
Safety Profile
Safty information about (S)-3-Hydroxybutyric acid (CAS NO.6168-83-8) is:
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
F: 3-10
Specification
(S)-3-Hydroxybutyric acid , its cas register number is 6168-83-8. It also can be called beta-Hydroxybutyrate, L- ; beta-Hydroxybutyrate,l .