4-TERT-BUTYLBENZALDEHYDE

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 Search

SMILES

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

InChI

InChIKey=OTXINXDGSUFPNU-UHFFFAOYSA-N

InChI=1S/C11H14O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-8H,1-3H3

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

Targets

Primary Target	Pharmacology	Potency
Casein kinase II 4 Target ID: CHEMBL2095191 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16203192 \| https://www.ncbi.nlm.nih.gov/pubmed/15566294	Inhibitor 8504	1.6 µM [IC50]
Serine/threonine-protein kinase PIM3 10 Target ID: CHEMBL5407 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18588507	Inhibitor 8504	0.86 µM [IC50]
Dual-specificity tyrosine-phosphorylation regulated kinase 2 2 Target ID: CHEMBL4376 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18588507	Inhibitor 8504	0.99 µM [IC50]

PubMed

Title	Date	PubMed
Environmental green chemistry as defined by photocatalysis.	2007-07-31	17532130
Partial oxidation of 4-tert-butyltoluene catalyzed by homogeneous cobalt and cerium acetate catalysts in the Br-/H2O2/acetic acid system: insights into selectivity and mechanism.	2007	17623293
A MALDI-chip integrated system with a monitoring window.	2005-04	15791334
Inhibitory effects on mushroom tyrosinase by some alkylbenzaldehydes.	2003-12	15008513

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:46:12 GMT 2025` Edited by `admin` on `Mon Mar 31 20:46:12 GMT 2025`
Record UNII	QXF0QY8503
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-T-BUTYL BENZALDEHYDE

Preferred Name

English

4-TERT-BUTYLBENZALDEHYDE

Systematic Name

English

BENZALDEHYDE, 4-(1,1-DIMETHYLETHYL)-

Systematic Name

English

PARA-TERT-BUTYLBENZALDEHYDE

Systematic Name

English

P-TERT-BUTYLBENZALDEHYDE

Common Name

English

TBB

Brand Name

English

4-(1,1-DIMETHYLETHYL)BENZALDEHYDE

Systematic Name

English

BENZALDEHYDE, P-TERT-BUTYL-

Common Name

English

Code System Code Type Description

ECHA (EC/EINECS)

213-367-9