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Details

Stereochemistry ACHIRAL
Molecular Formula C14H28O2
Molecular Weight 228.3709
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OCTYL HEXANOATE

SMILES

CCCCCCCCOC(=O)CCCCC

InChI

InChIKey=CMNMHJVRZHGAAK-UHFFFAOYSA-N
InChI=1S/C14H28O2/c1-3-5-7-8-9-11-13-16-14(15)12-10-6-4-2/h3-13H2,1-2H3

HIDE SMILES / InChI
Molecular Formula C14H28O2
Molecular Weight 228.3709
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
PubMed

PubMed

TitleDatePubMed
Identification of female sex pheromone of the rice leaf bug, Trigonotylus caelestialium.
2001-12
Patents

Patents

20040035293
5
6207739
1
7208605
1
7744838
1
9115556
1
WO2014038078A1
1
WO2015027032A1
1
Substance Class Chemical
Created
by admin
on Mon Mar 31 18:56:33 GMT 2025
Edited
by admin
on Mon Mar 31 18:56:33 GMT 2025
Record UNII
19B54293W4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OCTYL HEXANOATE
Systematic Name English
NSC-53816
Preferred Name English
CAPRYL CAPROATE
Common Name English
HEXANOIC ACID, OCTYL ESTER
Common Name English
OCTYL CAPROATE
Systematic Name English
1-OCTYL HEXANOATE
Systematic Name English
N-OCTYL CAPROATE
Common Name English
Code System Code Type Description
CHEBI
156492
Created by admin on Mon Mar 31 18:56:33 GMT 2025 , Edited by admin on Mon Mar 31 18:56:33 GMT 2025
PRIMARY
NSC
53816
Created by admin on Mon Mar 31 18:56:33 GMT 2025 , Edited by admin on Mon Mar 31 18:56:33 GMT 2025
PRIMARY
PUBCHEM
21006
Created by admin on Mon Mar 31 18:56:33 GMT 2025 , Edited by admin on Mon Mar 31 18:56:33 GMT 2025
PRIMARY
FDA UNII
19B54293W4
Created by admin on Mon Mar 31 18:56:33 GMT 2025 , Edited by admin on Mon Mar 31 18:56:33 GMT 2025
PRIMARY
CAS
4887-30-3
Created by admin on Mon Mar 31 18:56:33 GMT 2025 , Edited by admin on Mon Mar 31 18:56:33 GMT 2025
PRIMARY
ECHA (EC/EINECS)
225-499-4
Created by admin on Mon Mar 31 18:56:33 GMT 2025 , Edited by admin on Mon Mar 31 18:56:33 GMT 2025
PRIMARY
EPA CompTox
DTXSID40197620
Created by admin on Mon Mar 31 18:56:33 GMT 2025 , Edited by admin on Mon Mar 31 18:56:33 GMT 2025
PRIMARY
NIH
NCATS
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