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3739-30-8,MFCD00004476
Catalog No.:AA00339D

3739-30-8 | 2-Hydroxy-2-methylbutyric acid

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1g
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$12.00   $8.00
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5g
98%
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$19.00   $14.00
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25g
95%
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$70.00   $49.00
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100g
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00339D
Chemical Name:
2-Hydroxy-2-methylbutyric acid
CAS Number:
3739-30-8
Molecular Formula:
C5H10O3
Molecular Weight:
118.1311
MDL Number:
MFCD00004476
SMILES:
CC(C(=O)O)(CC)O
NSC Number:
9458
Properties
Properties
 
BP:
237.6 °C at 760 mmHg  
Form:
Solid  
MP:
73-75 °C(lit.)  
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
99.8  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
XLogP3:
0.3  

Downstream Synthesis Route

[1]Citron,ChristianA.;Rabe,Patrick;Dickschat,JeroenS.[JournalofNaturalProducts,2012,vol.75,#10,p.1765-1776]

[2]Stiles;Mayer[JournaloftheAmericanChemicalSociety,1959,vol.81,p.1497,1503]

[3]Mattocks,A.R.[JournaloftheChemicalSociety,1964,p.1918-1930]

[1]CurrentPatentAssignee:XIAMENOAMICBIOTECHCOLTD;FUJIANXIAMENENVIRONMENTMONITORINGCENTERSTATION-CN111233654,2020,ALocationinpatent:Paragraph0017;0035;0040;0041

[2]Blaise;Bagard[AnnalesdeChimie(Cachan,France),1907,vol.<8>11,p.116][ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1906,vol.142,p.1088]

[3]v.Miller[JustusLiebigsAnnalenderChemie,1880,vol.200,p.282]

[1]Naster;Gavriloff[BulletindesSocietesChimiquesBelges,1933,vol.42,p.519]

[2]Young;Dillon;Lucas[JournaloftheAmericanChemicalSociety,1929,vol.51,p.2531]

[1]Beebe,T.R.;Adkins,R.L.;Belcher,A.I.;Choy,T.;Fuller,A.E.;etal.[JournalofOrganicChemistry,1982,vol.47,#15,p.3006-3008]

[2]Boeeseken;Verkade[ChemischesZentralblatt,1917,vol.88,#I,p.851]

[1]Dupont[ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1910,vol.150,p.1524][AnnalesdeChimie(Cachan,France),1913,vol.<8>30,p.532]

Literature

Title: Separation and analysis of lanthanides by isotachophoresis coupled with inductively coupled plasma mass spectrometry.

Journal: Talanta 20120915

Title: Modular Chemical Descriptor Language (MCDL): Stereochemical modules.

Journal: Journal of cheminformatics 20110101

Title: Liver Metabolic Alterations and Changes in Host Intercompartmental Metabolic Correlation during Progression of Malaria.

Journal: Journal of parasitology research 20110101

Title: Alterations in urine, serum and brain metabolomic profiles exhibit sexual dimorphism during malaria disease progression.

Journal: Malaria journal 20100101

Title: Derivatization of guar to sodium carboxy methyl hydroxy propyl derivative; characterization and evaluation.

Journal: Pakistan journal of pharmaceutical sciences 20080101

Title: Absolute configuration of the creatonotines and callimorphines, two classes of arctiid-specific pyrrolizidine alkaloids.

Journal: Insect biochemistry and molecular biology 20070101

Title: Stereoselective biocatalytic synthesis of (S)-2-hydroxy-2-methylbutyric acid via substrate engineering by using 'thio-disguised' precursors and oxynitrilase catalysis.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20070101

Title: Fluorescence spectroscopy of jet-cooled chiral (+/-)-indan-1-ol and its cluster with (+/-)-methyl- and ethyl-lactate.

Journal: The Journal of chemical physics 20061107

Title: Generation of roasted notes based on 2-acetyl-2-thiazoline and its precursor, 2-(1-hydroxyethyl)-4,5-dihydrothiazole, by combined bio and thermal approaches.

Journal: Journal of agricultural and food chemistry 20020410

Title: Biotransformation of MTBE, ETBE, and TAME after inhalation or ingestion in rats and humans.

Journal: Research report (Health Effects Institute) 20010501

Title: Dekant W, et al. Biotransformation of MTBE, ETBE, and TAME after inhalation or ingestion in rats and humans. Res Rep Health Eff Inst. 2001 May;(102):29-71; discussion 95-109.

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