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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H12O2
Molecular Weight 140.1797
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of SORBYL ACETATE

SMILES

C\C=C\C=C\COC(C)=O

InChI

InChIKey=PXVKYPFROMBALG-VNKDHWASSA-N
InChI=1S/C8H12O2/c1-3-4-5-6-7-10-8(2)9/h3-6H,7H2,1-2H3/b4-3+,6-5+

HIDE SMILES / InChI

Approval Year

Name Type Language
SORBYL ACETATE
Systematic Name English
(E,E)-2,4-HEXADIENYL ACETATE
Systematic Name English
2,4-HEXADIENYL ACETATE [FHFI]
Common Name English
2,4-HEXADIEN-1-OL, ACETATE
Systematic Name English
ACETIC ACID, 2,4-HEXADIENYL ESTER
Common Name English
2,4-HEXADIEN-1-OL, 1-ACETATE
Common Name English
HEXA-2,4-DIENYL ACETATE
Systematic Name English
FEMA NO. 4132
Code English
Classification Tree Code System Code
JECFA EVALUATION 2,4-HEXADIENYL ACETATE
Created by admin on Fri Dec 15 18:12:01 GMT 2023 , Edited by admin on Fri Dec 15 18:12:01 GMT 2023
Code System Code Type Description
CAS
57006-69-6
Created by admin on Fri Dec 15 18:12:01 GMT 2023 , Edited by admin on Fri Dec 15 18:12:01 GMT 2023
PRIMARY
PUBCHEM
5363491
Created by admin on Fri Dec 15 18:12:01 GMT 2023 , Edited by admin on Fri Dec 15 18:12:01 GMT 2023
PRIMARY
ECHA (EC/EINECS)
216-163-8
Created by admin on Fri Dec 15 18:12:01 GMT 2023 , Edited by admin on Fri Dec 15 18:12:01 GMT 2023
PRIMARY
JECFA MONOGRAPH
1757
Created by admin on Fri Dec 15 18:12:01 GMT 2023 , Edited by admin on Fri Dec 15 18:12:01 GMT 2023
PRIMARY
CAS
1516-17-2
Created by admin on Fri Dec 15 18:12:01 GMT 2023 , Edited by admin on Fri Dec 15 18:12:01 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
5416SJ1T8T
Created by admin on Fri Dec 15 18:12:01 GMT 2023 , Edited by admin on Fri Dec 15 18:12:01 GMT 2023
PRIMARY