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Details

Stereochemistry ACHIRAL
Molecular Formula C10H16O
Molecular Weight 152.2334
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of TAGETONE, (E)-

SMILES

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

InChI

InChIKey=RJXKHBTYHGBOKV-VQHVLOKHSA-N
InChI=1S/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h5,7-8H,1,6H2,2-4H3/b9-7+

HIDE SMILES / InChI

Molecular Formula C10H16O
Molecular Weight 152.2334
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 01:51:56 GMT 2023
Edited
by admin
on Sat Dec 16 01:51:56 GMT 2023
Record UNII
9V8N4C9UN5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TAGETONE, (E)-
Common Name English
TAGETONE, TRANS-
Common Name English
5,7-OCTADIEN-4-ONE, 2,6-DIMETHYL-, (5E)-
Systematic Name English
5,7-OCTADIEN-4-ONE, 2,6-DIMETHYL-, (E)-
Systematic Name English
(E)-TAGETONE
Common Name English
TRANS-TAGETONE
Common Name English
Code System Code Type Description
PUBCHEM
5368938
Created by admin on Sat Dec 16 01:51:56 GMT 2023 , Edited by admin on Sat Dec 16 01:51:56 GMT 2023
PRIMARY
CAS
6752-80-3
Created by admin on Sat Dec 16 01:51:56 GMT 2023 , Edited by admin on Sat Dec 16 01:51:56 GMT 2023
PRIMARY
FDA UNII
9V8N4C9UN5
Created by admin on Sat Dec 16 01:51:56 GMT 2023 , Edited by admin on Sat Dec 16 01:51:56 GMT 2023
PRIMARY
ECHA (EC/EINECS)
229-813-0
Created by admin on Sat Dec 16 01:51:56 GMT 2023 , Edited by admin on Sat Dec 16 01:51:56 GMT 2023
PRIMARY