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Details

Stereochemistry ACHIRAL
Molecular Formula C13H18O
Molecular Weight 190.2814
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (4-Tert-butyl-o-tolyl)acetaldehyde

SMILES

CC1=CC(=CC=C1CC=O)C(C)(C)C

InChI

InChIKey=ACGSLLPQEVTPIJ-UHFFFAOYSA-N
InChI=1S/C13H18O/c1-10-9-12(13(2,3)4)6-5-11(10)7-8-14/h5-6,8-9H,7H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C13H18O
Molecular Weight 190.2814
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 Wed Apr 02 21:25:58 GMT 2025
Edited
by admin
on Wed Apr 02 21:25:58 GMT 2025
Record UNII
CXG74X78HT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(4-Tert-butyl-o-tolyl)acetaldehyde
Systematic Name English
2-(5-tert-butyl-2-methylphenyl)acetaldehyde
Preferred Name English
4-(1,1-Dimethylethyl)-2-methylbenzeneacetaldehyde
Systematic Name English
Code System Code Type Description
PUBCHEM
16205980
Created by admin on Wed Apr 02 21:25:58 GMT 2025 , Edited by admin on Wed Apr 02 21:25:58 GMT 2025
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FDA UNII
CXG74X78HT
Created by admin on Wed Apr 02 21:25:58 GMT 2025 , Edited by admin on Wed Apr 02 21:25:58 GMT 2025
PRIMARY
EPA CompTox
DTXSID80916453
Created by admin on Wed Apr 02 21:25:58 GMT 2025 , Edited by admin on Wed Apr 02 21:25:58 GMT 2025
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CAS
94108-57-3
Created by admin on Wed Apr 02 21:25:58 GMT 2025 , Edited by admin on Wed Apr 02 21:25:58 GMT 2025
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