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Details

Stereochemistry ACHIRAL
Molecular Formula C11H22O2
Molecular Weight 186.2912
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-HEXYL VALERATE

SMILES

CCCCCCOC(=O)CCCC

InChI

InChIKey=YERFHJZYNMRVLO-UHFFFAOYSA-N
InChI=1S/C11H22O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h3-10H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C11H22O2
Molecular Weight 186.2912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:09:00 GMT 2023
Edited
by admin
on Sat Dec 16 10:09:00 GMT 2023
Record UNII
4223QQU9RL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-HEXYL VALERATE
Common Name English
PENTANOIC ACID, HEXYL ESTER
Systematic Name English
HEXYL VALERATE
Systematic Name English
1-HEXYL PENTANOATE
Systematic Name English
NSC-21861
Code English
1-HEXYL N-VALERATE
Common Name English
HEXYL PENTANOATE
Systematic Name English
HEXYL VALERIANATE
Common Name English
VALERIC ACID, HEXYL ESTER
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
214-248-4
Created by admin on Sat Dec 16 10:09:00 GMT 2023 , Edited by admin on Sat Dec 16 10:09:00 GMT 2023
PRIMARY
EPA CompTox
DTXSID3061502
Created by admin on Sat Dec 16 10:09:00 GMT 2023 , Edited by admin on Sat Dec 16 10:09:00 GMT 2023
PRIMARY
FDA UNII
4223QQU9RL
Created by admin on Sat Dec 16 10:09:00 GMT 2023 , Edited by admin on Sat Dec 16 10:09:00 GMT 2023
PRIMARY
PUBCHEM
70694
Created by admin on Sat Dec 16 10:09:00 GMT 2023 , Edited by admin on Sat Dec 16 10:09:00 GMT 2023
PRIMARY
CAS
1117-59-5
Created by admin on Sat Dec 16 10:09:00 GMT 2023 , Edited by admin on Sat Dec 16 10:09:00 GMT 2023
PRIMARY
NSC
21861
Created by admin on Sat Dec 16 10:09:00 GMT 2023 , Edited by admin on Sat Dec 16 10:09:00 GMT 2023
PRIMARY