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Details

Stereochemistry ACHIRAL
Molecular Formula C12H20O2
Molecular Weight 196.286
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 3-HEXENYL 2-HEXENOATE, (3Z,2E)-

SMILES

CCC\C=C\C(=O)OCC\C=C/CC

InChI

InChIKey=WAZKUHYKUCORDK-SUTBWYPISA-N
InChI=1S/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7-8,10H,3-4,6,9,11H2,1-2H3/b7-5-,10-8+

HIDE SMILES / InChI

Molecular Formula C12H20O2
Molecular Weight 196.286
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:55:30 GMT 2023
Edited
by admin
on Fri Dec 15 19:55:30 GMT 2023
Record UNII
S3878T105H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HEXENYL 2-HEXENOATE, (3Z,2E)-
Systematic Name English
2-HEXENOIC ACID, (3Z)-3-HEXEN-1-YL ESTER, (2E)-
Common Name English
2-HEXENOIC ACID, 3-HEXENYL ESTER, (E,Z)-
Common Name English
CIS-3-HEXENYL TRANS-2-HEXENOATE
Systematic Name English
2-HEXENOIC ACID, (3Z)-3-HEXENYL ESTER, (2E)-
Common Name English
(Z)-3-HEXENYL (E)-2-HEXENOATE [FHFI]
Common Name English
3-HEXENYL TRANS-2-HEXENOATE, CIS-
Systematic Name English
FEMA NO. 3928
Code English
Code System Code Type Description
EPA CompTox
DTXSID00101819
Created by admin on Fri Dec 15 19:55:30 GMT 2023 , Edited by admin on Fri Dec 15 19:55:30 GMT 2023
PRIMARY
CAS
53398-87-1
Created by admin on Fri Dec 15 19:55:30 GMT 2023 , Edited by admin on Fri Dec 15 19:55:30 GMT 2023
PRIMARY
PUBCHEM
5367679
Created by admin on Fri Dec 15 19:55:30 GMT 2023 , Edited by admin on Fri Dec 15 19:55:30 GMT 2023
PRIMARY
FDA UNII
S3878T105H
Created by admin on Fri Dec 15 19:55:30 GMT 2023 , Edited by admin on Fri Dec 15 19:55:30 GMT 2023
PRIMARY
JECFA MONOGRAPH
1288
Created by admin on Fri Dec 15 19:55:30 GMT 2023 , Edited by admin on Fri Dec 15 19:55:30 GMT 2023
PRIMARY