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1487-49-6,MFCD00129999
Catalog No.:AA001L1Z
1487-49-6 | Butanoic acid, 3-hydroxy-, methyl ester
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1g
97%forsynthesis
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97%forsynthesis
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25g
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  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA001L1Z
Chemical Name:
Butanoic acid, 3-hydroxy-, methyl ester
CAS Number:
1487-49-6
Molecular Formula:
C5H10O3
Molecular Weight:
118.1311
MDL Number:
MFCD00129999
IUPAC Name:
methyl 3-hydroxybutanoate
InChI:
InChI=1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3
InChI Key:
LDLDJEAVRNAEBW-UHFFFAOYSA-N
SMILES:
COC(=O)CC(O)C
EC Number:
216-068-1
FEMA Number:
4450
Properties
Computed Properties
 
Complexity:
79.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.063g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
118.132g/mol
Monoisotopic Mass:
118.063g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  

Synonyms
 
Methyl 3-hydroxybutyrate 
Methyl 3-hydroxybutanoate 
(S)-Methyl3-Hydroxybutanoate 
Butanoic acid, 3-hydroxy-, methyl ester, (S)- 
formyl 3-hydroxy-butanoate 
ACMC-209j7i 
ACMC-209l8o 
Methyl 3-hydroxy-butanoate 
3-Hydroxybutyric acid methyl 
SCHEMBL53570 
Methyl .beta.-hydroxybutyrate 
AC1L259E 
1487-49-6 
CH3CH(OH)CH2C(O)OCH3 
CTK4C5920 
LDLDJEAVRNAEBW-UHFFFAOYSA- 
Methyl 3-hydroxybutyrate, >=95% 
BCP12973 
LMFA07010513 
MFCD00129999 
AKOS009156905 
NE22129 
TRA0046335 
Butanoic acid, 3-hydroxy-, methyl ester 
TRA0058238 
.beta.-Hydroxybutyric acid, methyl ester 
AK-48318 
AK-54453 
AN-17298 
AN-17299 
AS-19993 
LS-48063 
SY018984 
SY018985 
Methyl-3-hydroxybutyrate 
WE(1:0/4:0(3OH)) 
A6637 
Methyl 3-hydroxybutyrate, >=95.0% (GC) 
Z3246 
MFCD00064461 (95%) 
MFCD00063289 (97+%) 
SR-01000945004 
I14-4761 
I14-4762 
SR-01000945004-1 
BUTYRIC ACID, 3-HYDROXY-, METHYL ESTER 
InChI=1/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3 
(R)-Methyl 3-Hydroxybutanoate 
(S)-methyl 3-hydroxybutanoate 
Methyl (S)-(+)-3-hydroxybutyrate 
UNII-S36O46U3EA 
Methyl (R)-(-)-3-hydroxybutyrate 
C5H10O3 
S36O46U3EA 
CID15146 
(R)-(-)-Methyl 3-hydroxybutyrate 
EINECS 216-068-1 
C5-H10-O3 
3976-69-0 
53562-86-0 
A7792 
LDLDJEAVRNAEBW-UHFFFAOYSA-N 
Butanoic acid,3-hydroxy-, methyl ester 
(R)-Methyl3-Hydroxybutanoate 
Literature

Title: Engineering yield and rate of reductive biotransformation in Escherichia coli by partial cyclization of the pentose phosphate pathway and PTS-independent glucose transport.

Journal: Applied microbiology and biotechnology 20120201

Title: Biosynthesis and characterization of copolymer poly(3HB-co-3HV) from saponified Jatropha curcas oil by Pseudomonas oleovorans.

Journal: Journal of industrial microbiology & biotechnology 20100801

Title: Enatiomerically pure hydroxycarboxylic acids: current approaches and future perspectives.

Journal: Applied microbiology and biotechnology 20100601

Title: 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: Journal of automated methods & management in chemistry 20100101

Title: Short- and long-term consequences on biochemical markers after fundectomy in pigs supplemented with 3-hydroxy-3-methylbutyrate and alpha-ketoglutarate.

Journal: Berliner und Munchener tierarztliche Wochenschrift 20100101

Title: Metabolomics for biotransformations: Intracellular redox cofactor analysis and enzyme kinetics offer insight into whole cell processes.

Journal: Biotechnology and bioengineering 20091001

Title: Application of (R)-3-hydroxyalkanoate methyl esters derived from microbial polyhydroxyalkanoates as novel biofuels.

Journal: Biomacromolecules 20090413

Title: The effect of 3-hydroxybutyrate methyl ester on learning and memory in mice.

Journal: Biomaterials 20090301

Title: Carbonylative ring opening of terminal epoxides at atmospheric pressure.

Journal: The Journal of organic chemistry 20071207

Title: The effect of 3-hydroxybutyrate and its derivatives on the growth of glial cells.

Journal: Biomaterials 20070901

Title: Use of headspace solid-phase microextraction for the quantification of poly(3-hydroxybutyrate) in microbial cells.

Journal: Journal of chromatography. A 20070622

Title: Rapid microwave assisted esterification method for the analysis of poly-3-hydroxybutyrate in Alcaligenes latus by gas chromatography.

Journal: Journal of chromatography. A 20070622

Title: From terpenoids to aliphatic acids: further evidence for late-instar switch in osmeterial defense as a characteristic trait of swallowtail butterflies in the tribe papilionini.

Journal: Journal of chemical ecology 20060901

Title: Enthalpy change on mixing a couple of S- and R-enantiomers of some chiral compounds at 298.15 K.

Journal: Chirality 20060801

Title: Enantioselective total synthesis of batzelladine F and definition of its structure.

Journal: Journal of the American Chemical Society 20060301

Title: New strategy for the total synthesis of macrosphelides a and B based on ring-closing metathesis.

Journal: Organic letters 20030807

Title: Characterization of partially transesterified poly(beta-hydroxyalkanoate)s by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry.

Journal: Journal of AOAC International 20010101

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