Ethyl (R)-(-)-3-Hydroxybutyrate - CAS 24915-95-5

Name: Ethyl (R)-(-)-3-Hydroxybutyrate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB018664
Product Name:	Ethyl (R)-(-)-3-Hydroxybutyrate
CAS:	24915-95-5
Synonyms:	(3R)-3-hydroxybutanoic acid ethyl ester; ethyl (3R)-3-hydroxybutanoate

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Computed Properties

IUPAC Name:	ethyl (3R)-3-hydroxybutanoate
Description:	Ethyl (R)-(-)-3-Hydroxybutyrate (CAS# 24915-95-5) is a useful research chemical.
Molecular Weight:	132.16
Molecular Formula:	C6H12O3
Canonical SMILES:	CCOC(=O)CC(C)O
InChI:	InChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3/t5-/m1/s1
InChI Key:	OMSUIQOIVADKIM-RXMQYKEDSA-N
Boiling Point:	75-76 °C at 12 mmHg
Density:	1.017 g/cm³
MDL:	MFCD00075386
LogP:	0.32040

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113045416-A	Preparation method of (R) -3-hydroxybutyryl- (R) -3-hydroxybutyl ester	20210323
CN-112359071-A	Water-soluble controllable antibacterial substance and synthesis process thereof	20201026
CN-111705068-A	Asymmetric synthesis method of ketoreductase with stereoselectivity and (R) -3-hydroxy ethyl butyrate	20200630
CN-111705068-B	Asymmetric synthesis method of ketoreductase with stereoselectivity and (R) -3-hydroxy ethyl butyrate	20200630
CN-110904161-A	Method for producing high-purity (R) - (-) -3-hydroxybutyric acid by adopting enzyme method	20191227

PMID	Publication Date	Title	Journal
18354808	20080407	Intramolecular Prins cyclisations for the stereoselective synthesis of bicyclic tetrahydropyrans	Chemical communications (Cambridge, England)
17355145	20070412	An efficient and stereoselective synthesis of the monomeric counterpart of marinomycin A	Organic letters
17191902	20040801	The world of beta- and gamma-peptides comprised of homologated proteinogenic amino acids and other components	Chemistry & biodiversity
12517989	20030201	Novel natural ligands for Drosophila olfactory receptor neurones	The Journal of experimental biology
11400099	20010805	A two-step enzymatic resolution process for large-scale production of (S)- and (R)-ethyl-3-hydroxybutyrate	Biotechnology and bioengineering

Complexity:	90.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	132.078644241
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	132.078644241
Rotatable Bond Count:	4
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2