625-69-4,MFCD00065942
Catalog No.:AA003FSV

625-69-4 | 2,4-Pentanediol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$27.00   $19.00
- +
5g
95%
in stock  
$47.00   $33.00
- +
10g
in stock  
$89.00   $63.00
- +
25g
>98.0%(GC)
in stock  
$93.00   $65.00
- +
50g
in stock  
$170.00   $119.00
- +
100g
98%
in stock  
$318.00   $222.00
- +
500g
in stock  
$759.00   $532.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003FSV
Chemical Name:
2,4-Pentanediol
CAS Number:
625-69-4
Molecular Formula:
C5H12O2
Molecular Weight:
104.1476
MDL Number:
MFCD00065942
SMILES:
CC(CC(O)C)O
Properties
Properties
 
BP:
199.0°C  
Form:
Solid  
MP:
52.5°C  
Refractive Index:
n20/D 1.435(lit.)  
Solubility:
Fully miscible.  
Stability:
Hygroscopic  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
39.3  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.1  

Downstream Synthesis Route
52698-46-1    625-69-4   
2-isopropylidene-4(R),6(R)-dimethyl-1,3-dioxane 

[1]Patent:US5380729,1995,A

Literature

Title: Theoretical insight into stereoselective reaction mechanisms of 2,4-pentanediol-tethered ketene-olefin [2 + 2] cycloaddition.

Journal: The journal of physical chemistry. A 20120202

Title: 2,4-Pentanediolate as an alkoxide/diketonate 'hybrid' ligand and the formation of aluminum and zirconium derivatives.

Journal: Inorganic chemistry 20111205

Title: Stereocontrol in radical cyclization: change in rate-determining step.

Journal: Organic letters 20100820

Title: Brønsted acid catalyzed asymmetric reduction of ketones and acyl silanes using chiral anti-pentane-2,4-diol.

Journal: Organic letters 20100521

Title: Glass transition dynamics and boiling temperatures of molecular liquids and their isomers.

Journal: The journal of physical chemistry. B 20070329

Title: Purification, characterization, and gene cloning of glycerol dehydrogenase from Hansenula ofunaensis, and its expression for production of optically active diol.

Journal: Journal of bioscience and bioengineering 20061201

Title: Highly efficient synthesis of enantiopure diacetylated C(2)-symmetric diols by ruthenium- and enzyme-catalyzed dynamic kinetic asymmetric transformation (DYKAT).

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20060807

Title: Cloning and expression of the gene for periplasmic poly(vinyl alcohol) dehydrogenase from Sphingomonas sp. strain 113P3, a novel-type quinohaemoprotein alcohol dehydrogenase.

Journal: Microbiology (Reading, England) 20060701

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Molecular interpretation of water structuring and destructuring effects: hydration of alkanediols.

Journal: The Journal of chemical physics 20041222

Title: Asymmetric synthesis of deoxypolypropionate units via stereoselective hydrogenation of optically active cycloheptatriene.

Journal: Organic letters 20041125

Title: Different multidimensional chromatographic approaches applied to the study of wine malolactic fermentation.

Journal: Journal of chromatography. A 20030502

Title: On the mechanism of the unexpected facile formation of meso-diacetate products in enzymatic acetylation of alkanediols.

Journal: The Journal of organic chemistry 20030321

Title: A series of 2(Z)-2-benzylidene-6,7-dihydroxybenzofuran-3[2H]-ones as inhibitors of chorismate synthase.

Journal: Bioorganic & medicinal chemistry letters 20030210

Title: 'Chiral perturbation factor' approach reveals importance of entropy term in stereocontrol of the 2,4-pentanediol-tethered reaction.

Journal: The Journal of organic chemistry 20020920

Title: A strategy for the stereoselective synthesis of unsymmetric atropisomeric ligands: preparation of NAPhePHOS, a new biaryl diphosphine.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20020802

Title: Using equilibrium isotope effects to detect intramolecular OH/OH hydrogen bonds: structural and solvent effects.

Journal: Journal of the American Chemical Society 20020327

Title: Entropy-controlled asymmetric synthesis. How differential activation entropy is induced in chiral tethered reactions.

Journal: Organic letters 20010111

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SDS
Tags:625-69-4 Molecular Formula|625-69-4 MDL|625-69-4 SMILES|625-69-4 2,4-Pentanediol
Catalog No.: AA003FSV
625-69-4,MFCD00065942
625-69-4 | 2,4-Pentanediol
Pack Size: 1g
Purity: 95%
in stock
$27.00 $19.00
Pack Size: 5g
Purity: 95%
in stock
$47.00 $33.00
Pack Size: 10g
Purity:
in stock
$89.00 $63.00
Pack Size: 25g
Purity: >98.0%(GC)
in stock
$93.00 $65.00
Pack Size: 50g
Purity:
in stock
$170.00 $119.00
Pack Size: 100g
Purity: 98%
in stock
$318.00 $222.00
Pack Size: 500g
Purity:
in stock
$759.00 $532.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003FSV
Chemical Name: 2,4-Pentanediol
CAS Number: 625-69-4
Molecular Formula: C5H12O2
Molecular Weight: 104.1476
MDL Number: MFCD00065942
SMILES: CC(CC(O)C)O
Properties
BP: 199.0°C  
Form: Solid  
MP: 52.5°C  
Refractive Index: n20/D 1.435(lit.)  
Solubility: Fully miscible.  
Stability: Hygroscopic  
Storage: Inert atmosphere;Room Temperature;  
Complexity: 39.3  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 7  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 2  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.1  
Downstream Synthesis Route
52698-46-1    625-69-4   
2-isopropylidene-4(R),6(R)-dimethyl-1,3-dioxane 

[1]Patent:US5380729,1995,A

Literature fold

Title: Theoretical insight into stereoselective reaction mechanisms of 2,4-pentanediol-tethered ketene-olefin [2 + 2] cycloaddition.

Journal: The journal of physical chemistry. A20120202

Title: 2,4-Pentanediolate as an alkoxide/diketonate 'hybrid' ligand and the formation of aluminum and zirconium derivatives.

Journal: Inorganic chemistry20111205

Title: Stereocontrol in radical cyclization: change in rate-determining step.

Journal: Organic letters20100820

Title: Brønsted acid catalyzed asymmetric reduction of ketones and acyl silanes using chiral anti-pentane-2,4-diol.

Journal: Organic letters20100521

Title: Glass transition dynamics and boiling temperatures of molecular liquids and their isomers.

Journal: The journal of physical chemistry. B20070329

Title: Purification, characterization, and gene cloning of glycerol dehydrogenase from Hansenula ofunaensis, and its expression for production of optically active diol.

Journal: Journal of bioscience and bioengineering20061201

Title: Highly efficient synthesis of enantiopure diacetylated C(2)-symmetric diols by ruthenium- and enzyme-catalyzed dynamic kinetic asymmetric transformation (DYKAT).

Journal: Chemistry (Weinheim an der Bergstrasse, Germany)20060807

Title: Cloning and expression of the gene for periplasmic poly(vinyl alcohol) dehydrogenase from Sphingomonas sp. strain 113P3, a novel-type quinohaemoprotein alcohol dehydrogenase.

Journal: Microbiology (Reading, England)20060701

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology20060501

Title: Molecular interpretation of water structuring and destructuring effects: hydration of alkanediols.

Journal: The Journal of chemical physics20041222

Title: Asymmetric synthesis of deoxypolypropionate units via stereoselective hydrogenation of optically active cycloheptatriene.

Journal: Organic letters20041125

Title: Different multidimensional chromatographic approaches applied to the study of wine malolactic fermentation.

Journal: Journal of chromatography. A20030502

Title: On the mechanism of the unexpected facile formation of meso-diacetate products in enzymatic acetylation of alkanediols.

Journal: The Journal of organic chemistry20030321

Title: A series of 2(Z)-2-benzylidene-6,7-dihydroxybenzofuran-3[2H]-ones as inhibitors of chorismate synthase.

Journal: Bioorganic & medicinal chemistry letters20030210

Title: 'Chiral perturbation factor' approach reveals importance of entropy term in stereocontrol of the 2,4-pentanediol-tethered reaction.

Journal: The Journal of organic chemistry20020920

Title: A strategy for the stereoselective synthesis of unsymmetric atropisomeric ligands: preparation of NAPhePHOS, a new biaryl diphosphine.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany)20020802

Title: Using equilibrium isotope effects to detect intramolecular OH/OH hydrogen bonds: structural and solvent effects.

Journal: Journal of the American Chemical Society20020327

Title: Entropy-controlled asymmetric synthesis. How differential activation entropy is induced in chiral tethered reactions.

Journal: Organic letters20010111

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