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Details

Stereochemistry ACHIRAL
Molecular Formula C11H12O
Molecular Weight 160.2124
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYL-4-PHENYL-3-BUTEN-2-ONE

SMILES

CC(=O)C(\C)=C\C1=CC=CC=C1

InChI

InChIKey=BQJFBHBDOAIIGS-CMDGGOBGSA-N
InChI=1S/C11H12O/c1-9(10(2)12)8-11-6-4-3-5-7-11/h3-8H,1-2H3/b9-8+

HIDE SMILES / InChI

Molecular Formula C11H12O
Molecular Weight 160.2124
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 19:04:27 GMT 2023
Edited
by admin
on Fri Dec 15 19:04:27 GMT 2023
Record UNII
Z4887E8C9X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYL-4-PHENYL-3-BUTEN-2-ONE
FHFI  
Systematic Name English
BENZYLIDENE METHYL ACETONE
Systematic Name English
FEMA NO. 2734
Code English
TRANS-3-METHYL-4-PHENYL-3-BUTEN-2-ONE
Common Name English
3-BUTEN-2-ONE, 3-METHYL-4-PHENYL-
Systematic Name English
METHYL .ALPHA.-METHYLSTYRYL KETONE
Systematic Name English
4-PHENYL-3-METHYL-3-BUTEN-2-ONE
Systematic Name English
BENZYLIDENE METHYL ETHYL KETONE
Systematic Name English
3-BUTEN-2-ONE, 3-METHYL-4-PHENYL-, (3E)-
Systematic Name English
3-METHYL-4-PHENYLBUT-3-EN-2-ONE
Systematic Name English
3-BUTEN-2-ONE, 3-METHYL-4-PHENYL-, (E)-
Systematic Name English
NSC-167115
Code English
(E)-3-METHYL-4-PHENYL-3-BUTEN-2-ONE
Systematic Name English
3-BENZYLIDENE-2-BUTANONE
Systematic Name English
NSC-46888
Code English
3-METHYL-4-PHENYL-3-BUTEN-2-ONE [FHFI]
Common Name English
Code System Code Type Description
CAS
1901-26-4
Created by admin on Fri Dec 15 19:04:28 GMT 2023 , Edited by admin on Fri Dec 15 19:04:28 GMT 2023
ALTERNATIVE
FDA UNII
Z4887E8C9X
Created by admin on Fri Dec 15 19:04:28 GMT 2023 , Edited by admin on Fri Dec 15 19:04:28 GMT 2023
PRIMARY
CAS
42968-14-9
Created by admin on Fri Dec 15 19:04:28 GMT 2023 , Edited by admin on Fri Dec 15 19:04:28 GMT 2023
PRIMARY
NSC
46888
Created by admin on Fri Dec 15 19:04:28 GMT 2023 , Edited by admin on Fri Dec 15 19:04:28 GMT 2023
PRIMARY
JECFA MONOGRAPH
798
Created by admin on Fri Dec 15 19:04:28 GMT 2023 , Edited by admin on Fri Dec 15 19:04:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID0062050
Created by admin on Fri Dec 15 19:04:28 GMT 2023 , Edited by admin on Fri Dec 15 19:04:28 GMT 2023
PRIMARY
ECHA (EC/EINECS)
217-599-1
Created by admin on Fri Dec 15 19:04:28 GMT 2023 , Edited by admin on Fri Dec 15 19:04:28 GMT 2023
PRIMARY
NSC
167115
Created by admin on Fri Dec 15 19:04:28 GMT 2023 , Edited by admin on Fri Dec 15 19:04:28 GMT 2023
PRIMARY
PUBCHEM
5370646
Created by admin on Fri Dec 15 19:04:28 GMT 2023 , Edited by admin on Fri Dec 15 19:04:28 GMT 2023
PRIMARY