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Cas Database

Name	(S)-3-Hydroxybutyric acid	EINECS	228-209-4
CAS No.	6168-83-8	Density	1.195 g/cm³
PSA	57.53000	LogP	-0.15810
Solubility	N/A	Melting Point	45-48 °C
Formula	C4H8 O3	Boiling Point	269.2 °C at 760 mmHg
Molecular Weight	104.106	Flash Point	121 °C
Transport Information	N/A	Appearance	N/A
Safety	26-36	Risk Codes	R36/37/38
Molecular Structure		Hazard Symbols
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	Article Data	47

(S)-3-Hydroxybutyric acid Synthetic route

: 65058-82-4
(S)-(-)-β-methyl-β-propiolactone

: 6168-83-8
(S)-3-Hydroxybutanoic Acid

Conditions

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

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

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%

: 4368-06-3
3-hydroxybutanenitrile

: 6168-83-8
(S)-3-Hydroxybutanoic Acid

Conditions

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

: 18826-95-4, 107-88-0
1.3-butanediol

A: 24621-61-2
1,3-butanediol

B: 6168-83-8
(S)-3-Hydroxybutanoic Acid

Conditions

Conditions	Yield
With phosphate buffer at 30℃; for 24h; Candida boidinii KK912 (IFO 10574);	A 32% B 13%

: 2835-82-7
3-aminobutyric acid

: 6168-83-8
(S)-3-Hydroxybutanoic Acid

Conditions

Conditions	Yield
With cis-nitrous acid nachfolgend Verseifen;

: 6078-06-4
methyl 3-aminobutyrate

: 6168-83-8
(S)-3-Hydroxybutanoic Acid

Conditions

Conditions	Yield
With cis-nitrous acid nachfolgend Verseifen;

: 107-89-1
acetaldol

: 6168-83-8
(S)-3-Hydroxybutanoic Acid

Conditions

Conditions	Yield
bei der Einw. von Bact. ascendens;

: 541-50-4
2-acetoacetic acid

: 6168-83-8
(S)-3-Hydroxybutanoic Acid

Conditions

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

Conditions	Yield
Man laesst auf der Ammoniumsalzloesung Aspergillus griseus wachsen;

(S)-3-Hydroxybutyric acid Chemical Properties

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

(S)-3-Hydroxybutyric acid Safety Profile

Safty information about (S)-3-Hydroxybutyric acid (CAS NO.6168-83-8) is:
Hazard Codes: Irritant 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

(S)-3-Hydroxybutyric acid Specification

(S)-3-Hydroxybutyric acid , its cas register number is 6168-83-8. It also can be called beta-Hydroxybutyrate, L- ; beta-Hydroxybutyrate,l .

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