U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 of 2,4-PENTANEDIOL

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

PubMed

TitleDatePubMed
Entropy-controlled asymmetric synthesis. How differential activation entropy is induced in chiral tethered reactions.
2001 Jan 11
Using equilibrium isotope effects to detect intramolecular OH/OH hydrogen bonds: structural and solvent effects.
2002 Mar 27
Asymmetric synthesis of deoxypolypropionate units via stereoselective hydrogenation of optically active cycloheptatriene.
2004 Nov 25
Purification, characterization, and gene cloning of glycerol dehydrogenase from Hansenula ofunaensis, and its expression for production of optically active diol.
2006 Dec
Cloning and expression of the gene for periplasmic poly(vinyl alcohol) dehydrogenase from Sphingomonas sp. strain 113P3, a novel-type quinohaemoprotein alcohol dehydrogenase.
2006 Jul
Glass transition dynamics and boiling temperatures of molecular liquids and their isomers.
2007 Mar 29
Stereocontrol in radical cyclization: change in rate-determining step.
2010 Aug 20
Brønsted acid catalyzed asymmetric reduction of ketones and acyl silanes using chiral anti-pentane-2,4-diol.
2010 May 21
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 11:07:27 GMT 2023
Edited
by admin
on Sat Dec 16 11:07:27 GMT 2023
Record UNII
92H536ZDXF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4-PENTANEDIOL
Systematic Name English
NSC-53505
Code English
1,3-DIMETHYLPROPANE-1,3-DIOL
Systematic Name English
NSC-13528
Code English
2,4-DIHYDROXYPENTANE
Systematic Name English
2,4-AMYLENE GLYCOL
Common Name English
Code System Code Type Description
PUBCHEM
12262
Created by admin on Sat Dec 16 11:07:27 GMT 2023 , Edited by admin on Sat Dec 16 11:07:27 GMT 2023
PRIMARY
NSC
13528
Created by admin on Sat Dec 16 11:07:27 GMT 2023 , Edited by admin on Sat Dec 16 11:07:27 GMT 2023
PRIMARY
ECHA (EC/EINECS)
210-907-5
Created by admin on Sat Dec 16 11:07:27 GMT 2023 , Edited by admin on Sat Dec 16 11:07:27 GMT 2023
PRIMARY
NSC
53505
Created by admin on Sat Dec 16 11:07:27 GMT 2023 , Edited by admin on Sat Dec 16 11:07:27 GMT 2023
PRIMARY
CAS
625-69-4
Created by admin on Sat Dec 16 11:07:27 GMT 2023 , Edited by admin on Sat Dec 16 11:07:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID9032878
Created by admin on Sat Dec 16 11:07:27 GMT 2023 , Edited by admin on Sat Dec 16 11:07:27 GMT 2023
PRIMARY
FDA UNII
92H536ZDXF
Created by admin on Sat Dec 16 11:07:27 GMT 2023 , Edited by admin on Sat Dec 16 11:07:27 GMT 2023
PRIMARY