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Details

Stereochemistry ACHIRAL
Molecular Formula C10H16O3
Molecular Weight 184.2322
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of HEXENYL ACETOACETATE, (3Z)-

SMILES

CC\C=C/CCOC(=O)CC(C)=O

InChI

InChIKey=JCPGKFSGEPVXMI-PLNGDYQASA-N
InChI=1S/C10H16O3/c1-3-4-5-6-7-13-10(12)8-9(2)11/h4-5H,3,6-8H2,1-2H3/b5-4-

HIDE SMILES / InChI

Molecular Formula C10H16O3
Molecular Weight 184.2322
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 19:10:24 GMT 2023
Edited
by admin
on Fri Dec 15 19:10:24 GMT 2023
Record UNII
70D608M0TD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEXENYL ACETOACETATE, (3Z)-
Common Name English
3-HEXENYL ACETOACETATE, CIS-
Systematic Name English
BUTANOIC ACID, 3-OXO-, (3Z)-3-HEXENYL ESTER
Common Name English
BUTANOIC ACID, 3-OXO-, 3-HEXENYL ESTER, (Z)-
Common Name English
CIS-3-HEXENYL ACETOACETATE
Systematic Name English
FEMA NO. 4489
Code English
Classification Tree Code System Code
JECFA EVALUATION CIS-3-HEXENYL ACETOACETATE
Created by admin on Fri Dec 15 19:10:24 GMT 2023 , Edited by admin on Fri Dec 15 19:10:24 GMT 2023
Code System Code Type Description
PUBCHEM
20836219
Created by admin on Fri Dec 15 19:10:24 GMT 2023 , Edited by admin on Fri Dec 15 19:10:24 GMT 2023
PRIMARY
JECFA MONOGRAPH
1952
Created by admin on Fri Dec 15 19:10:24 GMT 2023 , Edited by admin on Fri Dec 15 19:10:24 GMT 2023
PRIMARY
FDA UNII
70D608M0TD
Created by admin on Fri Dec 15 19:10:24 GMT 2023 , Edited by admin on Fri Dec 15 19:10:24 GMT 2023
PRIMARY
ECHA (EC/EINECS)
282-820-0
Created by admin on Fri Dec 15 19:10:24 GMT 2023 , Edited by admin on Fri Dec 15 19:10:24 GMT 2023
PRIMARY
CAS
84434-20-8
Created by admin on Fri Dec 15 19:10:24 GMT 2023 , Edited by admin on Fri Dec 15 19:10:24 GMT 2023
PRIMARY