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Details

Stereochemistry ACHIRAL
Molecular Formula C15H22O2
Molecular Weight 234.334
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,5-DI-TERT-BUTYL-4-HYDROXYBENZALDEHYDE

SMILES

CC(C)(C)C1=CC(C=O)=CC(=C1O)C(C)(C)C

InChI

InChIKey=DOZRDZLFLOODMB-UHFFFAOYSA-N
InChI=1S/C15H22O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-9,17H,1-6H3

HIDE SMILES / InChI

Description

3,5-di-tert-butyl- 4-hydroxybenzaldehyde is metabolites of a food additive butylated hydroxytoluene (BHT). It has less prominent radical-scavenging activity than butylated hydroxytoluene. As the anthropogenic pollutant, it was detected in human breast adipose tissues. 3,5-di-tert-butyl- 4-hydroxybenzaldehyde was found in essential oil of Sphaeranthus indicus and in the capsules of Asclepias physocarpa. It is used as a reagent in the synthesis of a series of quinolinone-chalcones, which have anti-parasitic activity and in the synthesis of thiazolo[3,2-b][1,2,4]triazole-6(5H)-one derivatives (a potent analgesic and anti-inflammatory agents).

Approval Year

Targets

Primary TargetPharmacologyConditionPotency

Conditions

ConditionModalityTargetsHighest PhaseProduct

PubMed

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
The cytotoxicity (log 1/C, where C is 50% cytotoxic concentration) of 3,5-di-tert-butyl- 4-hydroxybenzaldehyde towards human submandibular gland carcinoma cells (HSG) and human gingival fibroblasts (HGF) was 2.25 and 2.1, respectively.