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Details

Stereochemistry ACHIRAL
Molecular Formula C12H16O
Molecular Weight 176.2548
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of P-TERT-BUTYLACETOPHENONE

SMILES

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

InChI

InChIKey=UYFJYGWNYQCHOB-UHFFFAOYSA-N
InChI=1S/C12H16O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h5-8H,1-4H3

HIDE SMILES / InChI

Molecular Formula C12H16O
Molecular Weight 176.2548
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:52:46 GMT 2025
Edited
by admin
on Mon Mar 31 21:52:46 GMT 2025
Record UNII
JAH8J5D78Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
P-TERT-BUTYLACETOPHENONE
Common Name English
EBASTINE RELATED COMPOUND B
USP-RS  
Preferred Name English
4-TERT-BUTYLPHENYL METHYL KETONE
Systematic Name English
ETHANONE, 1-(4-(1,1-DIMETHYLETHYL)PHENYL)-
Systematic Name English
P-TERT-BUTYLACETYLBENZENE
Common Name English
EBASTINE RELATED COMPOUND B [USP-RS]
Systematic Name English
NSC-826
Code English
Code System Code Type Description
FDA UNII
JAH8J5D78Y
Created by admin on Mon Mar 31 21:52:46 GMT 2025 , Edited by admin on Mon Mar 31 21:52:46 GMT 2025
PRIMARY
ECHA (EC/EINECS)
213-399-3
Created by admin on Mon Mar 31 21:52:46 GMT 2025 , Edited by admin on Mon Mar 31 21:52:46 GMT 2025
PRIMARY
PUBCHEM
13669
Created by admin on Mon Mar 31 21:52:46 GMT 2025 , Edited by admin on Mon Mar 31 21:52:46 GMT 2025
PRIMARY
CAS
943-27-1
Created by admin on Mon Mar 31 21:52:46 GMT 2025 , Edited by admin on Mon Mar 31 21:52:46 GMT 2025
PRIMARY
EPA CompTox
DTXSID4061337
Created by admin on Mon Mar 31 21:52:46 GMT 2025 , Edited by admin on Mon Mar 31 21:52:46 GMT 2025
PRIMARY
NSC
826
Created by admin on Mon Mar 31 21:52:46 GMT 2025 , Edited by admin on Mon Mar 31 21:52:46 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY