U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C11H14O
Molecular Weight 162.2283
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZYL ISOPROPYL KETONE

SMILES

CC(C)C(=O)CC1=CC=CC=C1

InChI

InChIKey=ZATIMOAGKJEVGN-UHFFFAOYSA-N
InChI=1S/C11H14O/c1-9(2)11(12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C11H14O
Molecular Weight 162.2283
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:18:16 GMT 2023
Edited
by admin
on Fri Dec 15 18:18:16 GMT 2023
Record UNII
81804S3MKM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZYL ISOPROPYL KETONE
Systematic Name English
3-METHYL-1-PHENYL-2-BUTANONE
Systematic Name English
NSC-406926
Code English
1-PHENYL-3-METHYLBUTANE-2-ONE
Systematic Name English
Code System Code Type Description
PUBCHEM
76163
Created by admin on Fri Dec 15 18:18:17 GMT 2023 , Edited by admin on Fri Dec 15 18:18:17 GMT 2023
PRIMARY
NSC
406926
Created by admin on Fri Dec 15 18:18:16 GMT 2023 , Edited by admin on Fri Dec 15 18:18:16 GMT 2023
PRIMARY
CAS
2893-05-2
Created by admin on Fri Dec 15 18:18:16 GMT 2023 , Edited by admin on Fri Dec 15 18:18:16 GMT 2023
PRIMARY
ECHA (EC/EINECS)
220-765-6
Created by admin on Fri Dec 15 18:18:16 GMT 2023 , Edited by admin on Fri Dec 15 18:18:16 GMT 2023
PRIMARY
FDA UNII
81804S3MKM
Created by admin on Fri Dec 15 18:18:16 GMT 2023 , Edited by admin on Fri Dec 15 18:18:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID40183129
Created by admin on Fri Dec 15 18:18:16 GMT 2023 , Edited by admin on Fri Dec 15 18:18:16 GMT 2023
PRIMARY