2,4-PENTANEDIOL

Details

Stereochemistry	MIXED
Molecular Formula	C5H12O2
Molecular Weight	104.1476
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(O)CC(C)O

InChI

InChIKey=GTCCGKPBSJZVRZ-UHFFFAOYSA-N

InChI=1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C5H12O2
Molecular Weight	104.1476
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Stereocontrol in radical cyclization: change in rate-determining step.	2010-08-20	20704406
Brønsted acid catalyzed asymmetric reduction of ketones and acyl silanes using chiral anti-pentane-2,4-diol.	2010-05-21	20408594
Glass transition dynamics and boiling temperatures of molecular liquids and their isomers.	2007-03-29	17388430
Purification, characterization, and gene cloning of glycerol dehydrogenase from Hansenula ofunaensis, and its expression for production of optically active diol.	2006-12	17270720
Highly efficient synthesis of enantiopure diacetylated C(2)-symmetric diols by ruthenium- and enzyme-catalyzed dynamic kinetic asymmetric transformation (DYKAT).	2006-08-07	16800022
Cloning and expression of the gene for periplasmic poly(vinyl alcohol) dehydrogenase from Sphingomonas sp. strain 113P3, a novel-type quinohaemoprotein alcohol dehydrogenase.	2006-07	16804170
Molecular interpretation of water structuring and destructuring effects: hydration of alkanediols.	2004-12-22	15606260
Asymmetric synthesis of deoxypolypropionate units via stereoselective hydrogenation of optically active cycloheptatriene.	2004-11-25	15548045
Different multidimensional chromatographic approaches applied to the study of wine malolactic fermentation.	2003-05-02	12800933
On the mechanism of the unexpected facile formation of meso-diacetate products in enzymatic acetylation of alkanediols.	2003-03-21	12636384
A series of 2(Z)-2-benzylidene-6,7-dihydroxybenzofuran-3[2H]-ones as inhibitors of chorismate synthase.	2003-02-10	12565943
"Chiral perturbation factor" approach reveals importance of entropy term in stereocontrol of the 2,4-pentanediol-tethered reaction.	2002-09-20	12227786
A strategy for the stereoselective synthesis of unsymmetric atropisomeric ligands: preparation of NAPhePHOS, a new biaryl diphosphine.	2002-08-02	12203313
Using equilibrium isotope effects to detect intramolecular OH/OH hydrogen bonds: structural and solvent effects.	2002-03-27	11902884
Entropy-controlled asymmetric synthesis. How differential activation entropy is induced in chiral tethered reactions.	2001-01-11	11429865

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:39:17 GMT 2025` Edited by `admin` on `Mon Mar 31 23:39:17 GMT 2025`
Record UNII	92H536ZDXF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,4-PENTANEDIOL

Systematic Name

English

NSC-13528

Preferred Name

English

NSC-53505

Code

English

1,3-DIMETHYLPROPANE-1,3-DIOL

Systematic Name

English

2,4-DIHYDROXYPENTANE

Systematic Name

English

2,4-AMYLENE GLYCOL

Common Name

English

Code System Code Type Description

PUBCHEM

12262