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CAS No.: | 625-72-9 |
---|---|
Name: | (R)-3-HYDROXYBUTYRIC ACID |
Article Data: | 75 |
Molecular Structure: | |
Formula: | C4H8O3 |
Molecular Weight: | 104.106 |
Synonyms: | Butanoicacid, 3-hydroxy-, (R)-;Butyric acid, 3-hydroxy-, D-(-)- (8CI);(-)-3-Hydroxy-n-butyric acid;(-)-3-Hydroxybutyric acid;(3R)-3-Hydroxybutyricacid;(R)-(-)-3-Hydroxybutyric acid;(R)-(-)-b-Hydroxybutyric acid;(R)-3-Hydroxybutanoic acid;(R)-3-Hydroxybutyric acid;(R)-b-Hydroxybutanoic acid;(R)-b-Hydroxybutyric acid;D-(-)-3-Hydroxybutanoic acid;D-(-)-3-Hydroxybutyric acid;D-(-)-b-Hydroxybutyric acid;D-3-Hydroxybutyric acid; |
EINECS: | 210-909-6 |
Density: | 1.195 g/cm3 |
Melting Point: | 49-50 °C(lit.) |
Boiling Point: | 269.216 °C at 760 mmHg |
Flash Point: | 121.011 °C |
Appearance: | white crystal |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 57.53000 |
LogP: | -0.15810 |
Conditions | Yield |
---|---|
Stage #1: Methyl (R)-3-hydroxybutyrate With potassium hydroxide In water at 0 - 20℃; for 48h; Inert atmosphere; Stage #2: With hydrogenchloride In water pH=1; Inert atmosphere; | 94% |
With potassium hydroxide In water at 4℃; for 480h; | 91% |
Stage #1: Methyl (R)-3-hydroxybutyrate With potassium hydroxide; water at 0℃; for 25.5h; Stage #2: With hydrogenchloride; water at 5℃; | 87% |
sodium (R)-3-hydroxybutyrate
(R)-3-hydroxybutyric acid
Conditions | Yield |
---|---|
With DOWEX 50x8-200 ion-exchange resin In methanol | 94% |
With hydrogenchloride; water pH=1; | 69% |
With hydrogenchloride; water |
Ethyl (R)-3-hydroxybutanoate
(R)-3-hydroxybutyric acid
Conditions | Yield |
---|---|
With potassium hydroxide at 0℃; for 24h; | 93% |
With sodium hydroxide In water at 10℃; for 6h; | 85% |
With potassium hydroxide for 12h; Ambient temperature; |
(3'R,4S)-3-(3'-hydroxybutanoyl)-4-(1-methylethyl)-2-oxazolidinone
(R)-3-hydroxybutyric acid
Conditions | Yield |
---|---|
With lithium hydroxide; dihydrogen peroxide In tetrahydrofuran at 20℃; for 1h; | 62% |
With potassium hydroxide In methanol at 0℃; for 0.75h; |
(R)-3-hydroxybutyric acid
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In methanol; 1,2-dichloro-ethane for 15h; Heating; | 54% |
ethyl 3-hydroxybutyrate
A
(R)-3-hydroxybutyric acid
B
ethyl (S)-3-hydroxybutyrate
Conditions | Yield |
---|---|
With sodium hydroxide In water at 30℃; pH=6.9; | A n/a B 36.4% |
Conditions | Yield |
---|---|
With hydrogenchloride |
(S)‐3‐chlorobutanoic acid
(R)-3-hydroxybutyric acid
Conditions | Yield |
---|---|
With water |
Conditions | Yield |
---|---|
With cis-nitrous acid Verseifung des Reaktionsproduktes; |
(S)-3-chloro-butyric acid methyl ester; methyl ester of/the/ dextrorotatory β-chloro-butyric acid
(R)-3-hydroxybutyric acid
Conditions | Yield |
---|---|
With water |
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The (R)-3-Hydroxybutyric acid is an organic compound with the formula C4H8O3. The IUPAC name of this chemical is (3R)-3-hydroxybutanoic acid. With the CAS registry number 625-72-9, it is also named as 3-Hydroxybutanoic acid. The product's categories are Carboxylic Acids; Chiral Building Blocks; Organic Building Blocks.
Physical properties about (R)-3-Hydroxybutyric acid are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 57.53 Å2; (9)Index of Refraction: 1.455; (10)Molar Refractivity: 23.638 cm3; (11)Molar Volume: 87.071 cm3; (12)Polarizability: 9.371×10-24cm3; (13)Surface Tension: 46.362 dyne/cm; (14)Density: 1.196 g/cm3; (15)Flash Point: 121.011 °C; (16)Enthalpy of Vaporization: 58.908 kJ/mol; (17)Boiling Point: 269.216 °C at 760 mmHg; (18)Vapour Pressure: 0.001 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. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(CC(=O)O)O
(2)InChI: InChI=1/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)
(3)InChIKey: WHBMMWSBFZVSSR-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)
(5)Std. InChIKey: WHBMMWSBFZVSSR-UHFFFAOYSA-N