Methyl 3-hydroxybutyrate - CAS 1487-49-6

Catalog:	BB010337
Product Name:	Methyl 3-hydroxybutyrate
CAS:	1487-49-6
Synonyms:	methyl 3-hydroxybutanoate

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Computed Properties

IUPAC Name:	methyl 3-hydroxybutanoate
Description:	Methyl 3-hydroxybutyrate (CAS# 1487-49-6) is a useful research chemical.
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
InChI Key:	LDLDJEAVRNAEBW-UHFFFAOYSA-N
Boiling Point:	161.9 °C at 760 mmHg
Density:	1.05 g/cm³
Solubility:	4.728e+005 mg/L at 25 °C (est)
Appearance:	Colourless clear liquid
LogP:	-0.06970

Publication Number	Title	Priority Date
CN-113354802-A	High-purity extraction method of polyhydroxyalkanoate	20210526
JP-6945096-B1	Adsorbent replacement method and fuel cell system	20210416
CN-113087621-A	Preparation method of (R) -3-palmitoyloxy butyric acid	20210415
CN-113072444-A	Method for separating and extracting R-3-hydroxy methyl butyrate	20210412
CN-112778123-A	3-sodium hydroxybutyrate crystal form and preparation method and application thereof	20210119

PMID	Publication Date	Title	Journal
22002070	20120201	Engineering yield and rate of reductive biotransformation in Escherichia coli by partial cyclization of the pentose phosphate pathway and PTS-independent glucose transport	Applied microbiology and biotechnology
21038811	20100901	Short- and long-term consequences on biochemical markers after fundectomy in pigs supplemented with 3-hydroxy-3-methylbutyrate and alpha-ketoglutarate	Berliner und Munchener tierarztliche Wochenschrift
20467780	20100801	Biosynthesis and characterization of copolymer poly(3HB-co-3HV) from saponified Jatropha curcas oil by Pseudomonas oleovorans	Journal of industrial microbiology & biotechnology
20393709	20100601	Enatiomerically pure hydroxycarboxylic acids: current approaches and future perspectives	Applied microbiology and biotechnology
20628512	20100101	New automated and high-throughput quantitative analysis of urinary ketones by multifiber exchange-solid phase microextraction coupled to fast gas chromatography/negative chemical-electron ionization/mass spectrometry	Journal of automated methods & management in chemistry

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Complexity:	79.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
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
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2