ChemicalBook--->CAS DataBase List--->300-85-6

300-85-6

300-85-6 Structure

300-85-6 Structure
IdentificationMore
[Name]

3-HYDROXYBUTYRIC ACID
[CAS]

300-85-6
[Synonyms]

(+/-)-3-HYDROXYBUTANOIC ACID
(+/-)-3-HYDROXYBUTYRIC ACID
3-HYDROXYBUTYRIC ACID
BETA-HYDROXY-N-BUTYRIC ACID
DL-3-HYDROXY-N-BUTYRIC ACID
DL-BETA-HYDROXYBUTYRIC ACID
RARECHEM AL BO 1231
3 HBA
3-hydroxy-butanoicaci
beta-hydroxybutyrate
Butanoic acid, 3-hydroxy-
Butyric acid, 3-hydroxy-
dl-B-hydroxybutyric acid free acid*practical grad
DL-B-HYDROXYBUTYRIC ACID FREE ACID*PRACT ICAL GRADE
3-Hydroxybutyric acid, tech., 95%
3-HYDROXYBUTYRIC ACID 98% MIN.
DL-3-Hydroxybutyric Acid (contains Polymolecular esterification product)
(±)-3-Hydroxybutanoic acid, DL-β-Hydroxybutyric acid
3-Hydroxybutyric acid, 95%, tech.
β-Oxybutyric acid
[EINECS(EC#)]

206-099-9
[Molecular Formula]

C4H8O3
[MDL Number]

MFCD00004546
[Molecular Weight]

104.1
[MOL File]

300-85-6.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR COLOURLESS TO LIGHT YELLOW VISCOUS LIQUID
[Melting point ]

174-175℃
[Boiling point ]

118-120 °C2 mm Hg(lit.)
[density ]

1.126 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.443(lit.)
[Fp ]

>230 °F
[storage temp. ]

Refrigerator
[solubility ]

ethanol: soluble50mg/mL, clear
[form ]

Liquid
[pka]

4.36±0.10(Predicted)
[color ]

Colorless
[Water Solubility ]

Soluble in water, alcohol, ether
[Sensitive ]

Hygroscopic
[Merck ]

14,4816
[BRN ]

773861
[InChI]

1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)
[InChIKey]

WHBMMWSBFZVSSR-UHFFFAOYSA-N
[SMILES]

CC(O)CC(O)=O
[LogP]

-0.764 (est)
[CAS DataBase Reference]

300-85-6(CAS DataBase Reference)
[EPA Substance Registry System]

Butanoic acid, 3-hydroxy- (300-85-6)
Questions And AnswerBack Directory
[Preparation]

Citric acid (0.2 mmol) and 1 equivalent of bis(4-chlorophenyl) disulfide (5.7 mg, 0.02 mmol) were added to a 10 mL vial fitted with a PTFE-coated magnetic stir bar. The vial was sealed with a diaphragm cap. The internal atmosphere was exchanged with nitrogen through three repeated vacuum refill cycles. 8 mL of a 0.25 mM photocatalyst solution in degassed 1,2-dichloroethane (sprayed with nitrogen for 20 min) was added to the resulting mixture, followed by 2,6-dimethylaniline (4.7 μL, 0.04 mmol). The resulting mixture was sprayed with nitrogen for another 5 min. The vial was sealed with PTFE tape. The vial was irradiated with an 8W blue LED (λmax = 460 nm) at a distance of approximately 4 cm from the light source while vigorous stirring. After 14 hours, the solvent was reduced to approximately 1 mL under vacuum. The title compound, 3-hydroxybutyric acid, was obtained by purification of the crude mixture (gradient eluent from hexane/ethyl acetate 70:30 to ethyl acetate) by rapid column chromatography.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280g-P280a-P304+P340-P405-P501a-P261-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 3265 8 / PGII
[WGK Germany ]

3
[F ]

10
[TSCA ]

Yes
[HS Code ]

29181990
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Eye Dam. 1
Skin Corr. 1B
Hazard InformationBack Directory
[Chemical Properties]

CLEAR COLOURLESS TO LIGHT YELLOW VISCOUS LIQUID
[Uses]

Industrially, 3-hydroxybutanoic acid is used for the manufacture of biodegradable plastics. It is also acts as a solvent in organoleptics, cosmetics. It is also used in enantioselective synthesis of D-(-)-3-hydroxybutyric acid by Escherichia coli.
[Definition]

ChEBI: A straight-chain 3-hydroxy monocarboxylic acid comprising a butyric acid core with a single hydroxy substituent in the 3- position; a ketone body whose levels are raised during ketosis, used as an energy source by the brain during fasting in humans. Also u ed to synthesise biodegradable plastics.
[IC 50]

Human Endogenous Metabolite
[storage]

Store at 4°C, away from moisture
Spectrum DetailBack Directory
[Spectrum Detail]

3-hydroxybutyric acid(300-85-6)1HNMR
3-hydroxybutyric acid(300-85-6)IR1
3-hydroxybutyric acid(300-85-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Hydroxybutyric acid, tech., 95%(300-85-6)
[Alfa Aesar]

3-Hydroxybutyric acid, tech.(300-85-6)
[Sigma Aldrich]

300-85-6(sigmaaldrich)
[TCI AMERICA]

DL-3-Hydroxybutyric Acid  (contains Polymolecular esterification product),>75.0%(T)(300-85-6)
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