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Details

Stereochemistry ACHIRAL
Molecular Formula C14H26O2
Molecular Weight 226.355
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-HEXENYL OCTANOATE, (E)-

SMILES

CCCCCCCC(=O)OC\C=C\CCC

InChI

InChIKey=IRUGSDVUJNNIMW-DHZHZOJOSA-N
InChI=1S/C14H26O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h8,11H,3-7,9-10,12-13H2,1-2H3/b11-8+

HIDE SMILES / InChI

Molecular Formula C14H26O2
Molecular Weight 226.355
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:00:40 GMT 2023
Edited
by admin
on Fri Dec 15 19:00:40 GMT 2023
Record UNII
Q58DSI91MM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-HEXENYL OCTANOATE, (E)-
Systematic Name English
2-HEXENYL OCTANOATE, TRANS-
Systematic Name English
FEMA NO. 4135
Code English
(E)-2-HEXENYL OCTANOATE
Systematic Name English
2-HEXENYL OCTANOATE [FHFI]
Common Name English
OCTANOIC ACID, 2-HEXENYL ESTER, (E)-
Common Name English
Code System Code Type Description
PUBCHEM
5365136
Created by admin on Fri Dec 15 19:00:40 GMT 2023 , Edited by admin on Fri Dec 15 19:00:40 GMT 2023
PRIMARY
ECHA (EC/EINECS)
287-605-5
Created by admin on Fri Dec 15 19:00:40 GMT 2023 , Edited by admin on Fri Dec 15 19:00:40 GMT 2023
PRIMARY
EPA CompTox
DTXSID30912349
Created by admin on Fri Dec 15 19:00:40 GMT 2023 , Edited by admin on Fri Dec 15 19:00:40 GMT 2023
PRIMARY
CAS
85554-72-9
Created by admin on Fri Dec 15 19:00:40 GMT 2023 , Edited by admin on Fri Dec 15 19:00:40 GMT 2023
PRIMARY
FDA UNII
Q58DSI91MM
Created by admin on Fri Dec 15 19:00:40 GMT 2023 , Edited by admin on Fri Dec 15 19:00:40 GMT 2023
PRIMARY
JECFA MONOGRAPH
1774
Created by admin on Fri Dec 15 19:00:40 GMT 2023 , Edited by admin on Fri Dec 15 19:00:40 GMT 2023
PRIMARY