Home Other Building Blocks 2,4-Pentanediol

2,4-Pentanediol

CAS No.:
625-69-4
Catalog Number:
AG003FVN
Molecular Formula:
C5H12O2
Molecular Weight:
104.1476
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$19
- +
5g
95%
In Stock USA
United States
$44
- +
25g
95%
In Stock USA
United States
$113
- +
100g
95%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG003FVN
Chemical Name:
2,4-Pentanediol
CAS Number:
625-69-4
Molecular Formula:
C5H12O2
Molecular Weight:
104.1476
MDL Number:
MFCD00065942
IUPAC Name:
pentane-2,4-diol
InChI:
InChI=1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3
InChI Key:
GTCCGKPBSJZVRZ-UHFFFAOYSA-N
SMILES:
CC(CC(O)C)O
EC Number:
210-907-5
Properties
Complexity:
39.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.084g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
104.149g/mol
Monoisotopic Mass:
104.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Literature
Title Journal
Theoretical insight into stereoselective reaction mechanisms of 2,4-pentanediol-tethered ketene-olefin [2 + 2] cycloaddition. The journal of physical chemistry. A 20120202
2,4-Pentanediolate as an alkoxide/diketonate 'hybrid' ligand and the formation of aluminum and zirconium derivatives. Inorganic chemistry 20111205
Stereocontrol in radical cyclization: change in rate-determining step. Organic letters 20100820
Brønsted acid catalyzed asymmetric reduction of ketones and acyl silanes using chiral anti-pentane-2,4-diol. Organic letters 20100521
Glass transition dynamics and boiling temperatures of molecular liquids and their isomers. The journal of physical chemistry. B 20070329
Purification, characterization, and gene cloning of glycerol dehydrogenase from Hansenula ofunaensis, and its expression for production of optically active diol. Journal of bioscience and bioengineering 20061201
Highly efficient synthesis of enantiopure diacetylated C(2)-symmetric diols by ruthenium- and enzyme-catalyzed dynamic kinetic asymmetric transformation (DYKAT). Chemistry (Weinheim an der Bergstrasse, Germany) 20060807
Cloning and expression of the gene for periplasmic poly(vinyl alcohol) dehydrogenase from Sphingomonas sp. strain 113P3, a novel-type quinohaemoprotein alcohol dehydrogenase. Microbiology (Reading, England) 20060701
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Molecular interpretation of water structuring and destructuring effects: hydration of alkanediols. The Journal of chemical physics 20041222
Asymmetric synthesis of deoxypolypropionate units via stereoselective hydrogenation of optically active cycloheptatriene. Organic letters 20041125
Different multidimensional chromatographic approaches applied to the study of wine malolactic fermentation. Journal of chromatography. A 20030502
On the mechanism of the unexpected facile formation of meso-diacetate products in enzymatic acetylation of alkanediols. The Journal of organic chemistry 20030321
A series of 2(Z)-2-benzylidene-6,7-dihydroxybenzofuran-3[2H]-ones as inhibitors of chorismate synthase. Bioorganic & medicinal chemistry letters 20030210
'Chiral perturbation factor' approach reveals importance of entropy term in stereocontrol of the 2,4-pentanediol-tethered reaction. The Journal of organic chemistry 20020920
A strategy for the stereoselective synthesis of unsymmetric atropisomeric ligands: preparation of NAPhePHOS, a new biaryl diphosphine. Chemistry (Weinheim an der Bergstrasse, Germany) 20020802
Using equilibrium isotope effects to detect intramolecular OH/OH hydrogen bonds: structural and solvent effects. Journal of the American Chemical Society 20020327
Entropy-controlled asymmetric synthesis. How differential activation entropy is induced in chiral tethered reactions. Organic letters 20010111
Properties