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Details

Stereochemistry ACHIRAL
Molecular Formula C9H16O
Molecular Weight 140.2227
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 7-METHYL-3-OCTEN-2-ONE, (3E)-

SMILES

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

InChI

InChIKey=QFSMRIFNMXHJQK-FNORWQNLSA-N
InChI=1S/C9H16O/c1-8(2)6-4-5-7-9(3)10/h5,7-8H,4,6H2,1-3H3/b7-5+

HIDE SMILES / InChI

Approval Year

Name Type Language
7-METHYL-3-OCTEN-2-ONE, (3E)-
Systematic Name English
3-OCTEN-2-ONE, 7-METHYL-
Systematic Name English
(E)-7-METHYL-3-OCTEN-2-ONE
FHFI  
Systematic Name English
FEMA NO. 3868
Code English
7-METHYL-3-OCTEN-2-ONE
Systematic Name English
(E)-7-METHYL-3-OCTEN-2-ONE [FHFI]
Common Name English
3-OCTEN-2-ONE, 7-METHYL-, (3E)-
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION (E)-7-METHYL-3-OCTEN-2-ONE
Created by admin on Fri Dec 15 19:13:10 GMT 2023 , Edited by admin on Fri Dec 15 19:13:10 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID50865661
Created by admin on Fri Dec 15 19:13:10 GMT 2023 , Edited by admin on Fri Dec 15 19:13:10 GMT 2023
PRIMARY
JECFA MONOGRAPH
1067
Created by admin on Fri Dec 15 19:13:10 GMT 2023 , Edited by admin on Fri Dec 15 19:13:10 GMT 2023
PRIMARY
CAS
1004754-77-1
Created by admin on Fri Dec 15 19:13:10 GMT 2023 , Edited by admin on Fri Dec 15 19:13:10 GMT 2023
PRIMARY
CAS
33046-81-0
Created by admin on Fri Dec 15 19:13:10 GMT 2023 , Edited by admin on Fri Dec 15 19:13:10 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
ECHA (EC/EINECS)
251-361-8
Created by admin on Fri Dec 15 19:13:10 GMT 2023 , Edited by admin on Fri Dec 15 19:13:10 GMT 2023
PRIMARY
PUBCHEM
5363231
Created by admin on Fri Dec 15 19:13:10 GMT 2023 , Edited by admin on Fri Dec 15 19:13:10 GMT 2023
PRIMARY
FDA UNII
382AW7VZ7R
Created by admin on Fri Dec 15 19:13:10 GMT 2023 , Edited by admin on Fri Dec 15 19:13:10 GMT 2023
PRIMARY