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Details

Stereochemistry ACHIRAL
Molecular Formula C12H22O2
Molecular Weight 198.3019
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of HEPT-2-ENYL ISOVALERATE, (2E)-

SMILES

CCCC\C=C\COC(=O)CC(C)C

InChI

InChIKey=ACRNCNWXWBBKGP-BQYQJAHWSA-N
InChI=1S/C12H22O2/c1-4-5-6-7-8-9-14-12(13)10-11(2)3/h7-8,11H,4-6,9-10H2,1-3H3/b8-7+

HIDE SMILES / InChI

Molecular Formula C12H22O2
Molecular Weight 198.3019
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 Sat Dec 16 19:08:26 GMT 2023
Edited
by admin
on Sat Dec 16 19:08:26 GMT 2023
Record UNII
8QNC1819P5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEPT-2-ENYL ISOVALERATE, (2E)-
Systematic Name English
(E)-HEPT-2-ENYL ISOVALERATE
Systematic Name English
(E,Z)-HEPT-2-EN-1-YL ISOVALERATE
Common Name English
FEMA NO. 4126
Common Name English
BUTANOIC ACID, 3-METHYL-, 2-HEPTENYL ESTER, (E)-
Common Name English
BUTANOIC ACID, 3-METHYL-, (E2)-HEPTENYL ESTER
Common Name English
HEPT-2-EN-1-YL ISOVALERATE [FHFI]
Common Name English
Code System Code Type Description
CAS
94109-97-4
Created by admin on Sat Dec 16 19:08:26 GMT 2023 , Edited by admin on Sat Dec 16 19:08:26 GMT 2023
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JECFA MONOGRAPH
1777
Created by admin on Sat Dec 16 19:08:26 GMT 2023 , Edited by admin on Sat Dec 16 19:08:26 GMT 2023
PRIMARY
ECHA (EC/EINECS)
302-537-9
Created by admin on Sat Dec 16 19:08:26 GMT 2023 , Edited by admin on Sat Dec 16 19:08:26 GMT 2023
PRIMARY
FDA UNII
8QNC1819P5
Created by admin on Sat Dec 16 19:08:26 GMT 2023 , Edited by admin on Sat Dec 16 19:08:26 GMT 2023
PRIMARY
PUBCHEM
6366434
Created by admin on Sat Dec 16 19:08:26 GMT 2023 , Edited by admin on Sat Dec 16 19:08:26 GMT 2023
PRIMARY