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Details

Stereochemistry RACEMIC
Molecular Formula C11H20O2
Molecular Weight 184.2753
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

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

SMILES

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

InChI

InChIKey=SXJKRFLZGRFPBD-BQYQJAHWSA-N
InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h7-8,10H,4-6,9H2,1-3H3/b8-7+

HIDE SMILES / InChI

Molecular Formula C11H20O2
Molecular Weight 184.2753
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 23:32:29 GMT 2023
Edited
by admin
on Fri Dec 15 23:32:29 GMT 2023
Record UNII
K6390PB417
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-HEXENYL 2-METHYLBUTYRATE, (2E)-
Systematic Name English
(E)-2-HEXENYL 2-METHYLBUTYRATE
Systematic Name English
TRANS-2-HEXENYL 2-METHYLBUTYRATE [FHFI]
Common Name English
FEMA NO. 4274
Code English
BUTANOIC ACID, 2-METHYL-, (2E)-2-HEXENYL ESTER
Common Name English
(E)-2-HEXENYL 2-METHYLBUTYRATE, (±)-
Systematic Name English
BUTANOIC ACID, 2-METHYL-, (2E)-2-HEXEN-1-YL ESTER
Common Name English
BUTANOIC ACID, 2-METHYL-, 2-HEXENYL ESTER, (E)-
Common Name English
2-HEXENYL 2-METHYLBUTYRATE, TRANS-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID501292148
Created by admin on Fri Dec 15 23:32:30 GMT 2023 , Edited by admin on Fri Dec 15 23:32:30 GMT 2023
PRIMARY
CAS
94089-01-7
Created by admin on Fri Dec 15 23:32:30 GMT 2023 , Edited by admin on Fri Dec 15 23:32:30 GMT 2023
PRIMARY
FDA UNII
K6390PB417
Created by admin on Fri Dec 15 23:32:30 GMT 2023 , Edited by admin on Fri Dec 15 23:32:30 GMT 2023
PRIMARY
JECFA MONOGRAPH
1775
Created by admin on Fri Dec 15 23:32:30 GMT 2023 , Edited by admin on Fri Dec 15 23:32:30 GMT 2023
PRIMARY
PUBCHEM
5352459
Created by admin on Fri Dec 15 23:32:30 GMT 2023 , Edited by admin on Fri Dec 15 23:32:30 GMT 2023
PRIMARY
ECHA (EC/EINECS)
302-103-9
Created by admin on Fri Dec 15 23:32:30 GMT 2023 , Edited by admin on Fri Dec 15 23:32:30 GMT 2023
PRIMARY