Methyl (R)-(-)-3-Hydroxybutyrate - CAS 3976-69-0

Catalog:	BB024124
Product Name:	Methyl (R)-(-)-3-Hydroxybutyrate
CAS:	3976-69-0
Synonyms:	(3R)-3-hydroxybutanoic acid methyl ester; methyl (3R)-3-hydroxybutanoate

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	methyl (3R)-3-hydroxybutanoate
Description:	Methyl (R)-(-)-3-Hydroxybutyrate (CAS# 3976-69-0) is mediated by signaling pathways related to the elevation of cytosolic Ca2+ concentration. Also a potential effective neutral protective agent.
Molecular Weight:	118.13
Molecular Formula:	C5H10O3
Canonical SMILES:	CC(CC(=O)OC)O
InChI:	InChI=1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3/t4-/m1/s1
InChI Key:	LDLDJEAVRNAEBW-SCSAIBSYSA-N
Boiling Point:	161.9 °C at 760 mmHg
Density:	1.05 g/cm³
MDL:	MFCD00063289
LogP:	-0.06970

Publication Number	Title	Priority Date
CN-113416130-A	Method for preparing R-3-hydroxy methyl butyrate	20210624
CN-113072444-A	Method for separating and extracting R-3-hydroxy methyl butyrate	20210412
CN-113045416-A	Preparation method of (R) -3-hydroxybutyryl- (R) -3-hydroxybutyl ester	20210323
CN-112538095-A	Chiral tetradentate ligand, chiral ruthenium complex and method for preparing (R) - (-) -1, 3-butanediol	20201214
WO-2021070208-A1	Method for the preparation of tris-(3-hydroxybutyrato)-glyceryl ester	20191010

PMID	Publication Date	Title	Journal
19489025	20091001	Metabolomics for biotransformations: Intracellular redox cofactor analysis and enzyme kinetics offer insight into whole cell processes	Biotechnology and bioengineering
16492044	20060301	Enantioselective total synthesis of batzelladine F and definition of its structure	Journal of the American Chemical Society
15549291	20050301	Enantioselective reduction of carbonyl compounds by whole-cell biotransformation, combining a formate dehydrogenase and a (R)-specific alcohol dehydrogenase	Applied microbiology and biotechnology

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Related Functional Groups

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	79.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	118.062994177
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	118.062994177
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2