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Details

Stereochemistry ACHIRAL
Molecular Formula C10H18O2
Molecular Weight 170.2487
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-HEXENYL BUTYRATE, (3E)-

SMILES

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

InChI

InChIKey=ZCHOPXVYTWUHDS-AATRIKPKSA-N
InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h5-6H,3-4,7-9H2,1-2H3/b6-5+

HIDE SMILES / InChI

Molecular Formula C10H18O2
Molecular Weight 170.2487
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 18:14:50 GMT 2023
Edited
by admin
on Fri Dec 15 18:14:50 GMT 2023
Record UNII
OL7S17GR7U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HEXENYL BUTYRATE, (3E)-
Systematic Name English
E-3-HEXENYL BUTYRATE
Systematic Name English
BUTANOIC ACID, (3E)-3-HEXENYL ESTER
Common Name English
BUTANOIC ACID, 3-HEXENYL ESTER, (E)-
Common Name English
3-HEXENYL BUTYRATE, (E)-
Systematic Name English
(E)-BUTANOIC ACID-2-HEXENYL ESTER
Common Name English
TRANS-3-HEXENYL BUTANOATE
Systematic Name English
(E)-3-HEXENYL BUTANOATE
Systematic Name English
BUTANOIC ACID, (3E)-3-HEXEN-1-YL ESTER
Common Name English
3-HEXENYL BUTYRATE, TRANS-
Systematic Name English
(E)-HEX-3-EN-1-YL BUTYRATE
Systematic Name English
TRANS-3-HEXENYL BUTYRATE
Systematic Name English
Code System Code Type Description
PUBCHEM
5352331
Created by admin on Fri Dec 15 18:14:50 GMT 2023 , Edited by admin on Fri Dec 15 18:14:50 GMT 2023
PRIMARY
CAS
53398-84-8
Created by admin on Fri Dec 15 18:14:50 GMT 2023 , Edited by admin on Fri Dec 15 18:14:50 GMT 2023
PRIMARY
FDA UNII
OL7S17GR7U
Created by admin on Fri Dec 15 18:14:50 GMT 2023 , Edited by admin on Fri Dec 15 18:14:50 GMT 2023
PRIMARY
EPA CompTox
DTXSID70880891
Created by admin on Fri Dec 15 18:14:50 GMT 2023 , Edited by admin on Fri Dec 15 18:14:50 GMT 2023
PRIMARY
ECHA (EC/EINECS)
258-516-9
Created by admin on Fri Dec 15 18:14:50 GMT 2023 , Edited by admin on Fri Dec 15 18:14:50 GMT 2023
PRIMARY