3-Hydroxybutyric acid - CAS 300-85-6

Name: 3-Hydroxybutyric acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB020443
Product Name:	3-Hydroxybutyric acid
CAS:	300-85-6
Synonyms:	3-hydroxybutanoic acid
Application:	Ingredient of health care products.

Technical Data

IUPAC Name:	3-hydroxybutanoic acid
Description:	3-Hydroxybutanoic acid is a ketone body that is synthsized from acetyl-CoA in the liver. It provides brain with energy when the blood glucose is low. It also acts as an inhibitor of HDAC. Nutritional supplement in health care products.
Molecular Weight:	104.10
Molecular Formula:	C4H8O3
Canonical SMILES:	CC(CC(=O)O)O
InChI:	InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)
InChI Key:	WHBMMWSBFZVSSR-UHFFFAOYSA-N
Boiling Point:	118-120 °C (2 torr)
Purity:	98 %
Density:	1.126 g/mL at 25°C(lit.)
Appearance:	Clear colourless oil
MDL:	MFCD00004546
LogP:	-0.15810

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

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CN-113461926-A	Chemical synthesis method of poly beta-hydroxy fatty acid ester	20210730
CN-113416789-A	Molecular marker related to concentration of beta-hydroxybutyric acid in milk cow blood and application thereof	20210727
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PMID	Publication Date	Title	Journal
32634519	20200901	Comparative proteomic analysis of SLC13A5 knockdown reveals elevated ketogenesis and enhanced cellular toxic response to chemotherapeutic agents in HepG2 cells	Toxicology and applied pharmacology
31332890	20190901	β-Hydroxybutyrate exacerbates lipopolysaccharide/ d-galactosamine-induced inflammatory response and hepatocyte apoptosis in mice	Journal of biochemical and molecular toxicology
29968805	20180703	Insights into myalgic encephalomyelitis/chronic fatigue syndrome phenotypes through comprehensive metabolomics	Scientific reports
29738703	20180601	High fat diet induced obesity is mitigated in Cyp3a-null female mice	Chemico-biological interactions
27816970	20170404	HMGCS2 enhances invasion and metastasis via direct interaction with PPARα to activate Src signaling in colorectal cancer and oral cancer	Oncotarget

Complexity:	69.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	104.047344113
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	104.047344113
Rotatable Bond Count:	2
Topological Polar Surface Area:	57.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5