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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 ISOVALEROPHENONE

SMILES

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

InChI

InChIKey=HEOVGVNITGAUKL-UHFFFAOYSA-N
InChI=1S/C11H14O/c1-9(2)8-11(12)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

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:15:12 GMT 2023
Edited
by admin
on Fri Dec 15 19:15:12 GMT 2023
Record UNII
U263XQR51P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOVALEROPHENONE
Systematic Name English
NSC-72033
Code English
1-BUTANONE, 3-METHYL-1-PHENYL-
Systematic Name English
PHENYL ISOBUTYL KETONE
Systematic Name English
3-METHYL-1-PHENYL-1-BUTANONE
Systematic Name English
ISOBUTYL PHENYL KETONE
Systematic Name English
1-PHENYL-3-METHYL-1-BUTANONE
Systematic Name English
Code System Code Type Description
PUBCHEM
68493
Created by admin on Fri Dec 15 19:15:12 GMT 2023 , Edited by admin on Fri Dec 15 19:15:12 GMT 2023
PRIMARY
FDA UNII
U263XQR51P
Created by admin on Fri Dec 15 19:15:12 GMT 2023 , Edited by admin on Fri Dec 15 19:15:12 GMT 2023
PRIMARY
ECHA (EC/EINECS)
209-489-7
Created by admin on Fri Dec 15 19:15:12 GMT 2023 , Edited by admin on Fri Dec 15 19:15:12 GMT 2023
PRIMARY
NSC
72033
Created by admin on Fri Dec 15 19:15:12 GMT 2023 , Edited by admin on Fri Dec 15 19:15:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID1060390
Created by admin on Fri Dec 15 19:15:12 GMT 2023 , Edited by admin on Fri Dec 15 19:15:12 GMT 2023
PRIMARY
CAS
582-62-7
Created by admin on Fri Dec 15 19:15:12 GMT 2023 , Edited by admin on Fri Dec 15 19:15:12 GMT 2023
PRIMARY