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

Details

Stereochemistry ACHIRAL
Molecular Formula 2C6H11O2.Zn
Molecular Weight 295.71
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZINC CAPROATE

SMILES

[Zn++].CCCCCC([O-])=O.CCCCCC([O-])=O

InChI

InChIKey=PKJOUIVGCFHFTK-UHFFFAOYSA-L
InChI=1S/2C6H12O2.Zn/c2*1-2-3-4-5-6(7)8;/h2*2-5H2,1H3,(H,7,8);/q;;+2/p-2

HIDE SMILES / InChI
Molecular Formula C6H11O2
Molecular Weight 115.1503
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula Zn
Molecular Weight 65.409
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Might be used as an ingredient of composition to prevent and control mouth odor, which is also effective in preventing calculus, plaque, caries and periodontal disease.

Approval Year

Unknown
149124
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
FTIR, magnetic, 1H NMR spectral and thermal studies of some chelates of caproic acid: inhibitory effect on different kinds of bacteria.
2008-06
Room temperature molecular and lattice structures of a homologous series of anhydrous zinc(II) n-alkanoate.
2007-09
Patents

Patents

JP2001506283A
1
JP2011506618A
1
JPH00459850A
1
JPH02272047A
1
JPH04332748A
1
JPH0459850A
1
JPH1149516A
1
JPS6161227A
3
WO1998024426A1
1

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Mon Mar 31 17:53:42 GMT 2025
Edited
by admin
on Mon Mar 31 17:53:42 GMT 2025
Record UNII
4RZW5M35XM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CAPROIC ACID ZINC SALT
Preferred Name English
ZINC CAPROATE
Systematic Name English
DIHEXANOIC ACID ZINC SALT
Common Name English
CAPROIC ACID, ZINC SALT
Common Name English
HEXANOIC ACID, ZINC SALT
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID20174858
Created by admin on Mon Mar 31 17:53:42 GMT 2025 , Edited by admin on Mon Mar 31 17:53:42 GMT 2025
PRIMARY
PUBCHEM
6432226
Created by admin on Mon Mar 31 17:53:42 GMT 2025 , Edited by admin on Mon Mar 31 17:53:42 GMT 2025
PRIMARY
CAS
20779-08-2
Created by admin on Mon Mar 31 17:53:42 GMT 2025 , Edited by admin on Mon Mar 31 17:53:42 GMT 2025
PRIMARY
FDA UNII
4RZW5M35XM
Created by admin on Mon Mar 31 17:53:42 GMT 2025 , Edited by admin on Mon Mar 31 17:53:42 GMT 2025
PRIMARY
Related Record Type Details
Structure of ZINC CATION
PARENT -> SALT/SOLVATE
Structure of Caproic Acid
PARENT -> SALT/SOLVATE
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966