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
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
| Molecular Formula | C15H22O2 |
| Molecular Weight | 234.334 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
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
PubMed
| Title | Date | PubMed |
|---|---|---|
| SPME and GC-MS analysis of triethylene glycol dimethacrylate released from dental composite. | 2010-02 |
|
| Mechanisms of cytotoxicity of 2- or 2,6-di-tert-butylphenols and 2-methoxyphenols in terms of inhibition rate constant and a theoretical parameter. | 2009-02 |
|
| Searching for anthropogenic contaminants in human breast adipose tissues using gas chromatography-time-of-flight mass spectrometry. | 2009-01 |
|
| Target and nontarget screening of organic micropollutants in water by solid-phase microextraction combined with gas chromatography/high-resolution time-of-flight mass spectrometry. | 2007-12-15 |
|
| Monitoring of BHT-quinone and BHT-CHO in the gas of capsules of Asclepias physocarpa. | 2006-07-28 |
|
| Radical-scavenging activity of butylated hydroxytoluene (BHT) and its metabolites. | 2004-07 |
|
| Optimization of photocatalytic oxidation of 2,2',3,3'-tetrachlorobiphenyl. | 2004-06-18 |
|
| Monitoring of the antioxidant BHT and its metabolite BHT-CHO in German river water and ground water. | 2004-02-05 |
|
| Short synthesis of tert-butyl-hydroxylated 3,5-di-tert-butyl-4-hydroxybenzaldehyde: Synthesis of tert-butyl-hydroxylated S-2474. | 2003-02-07 |
|
| Analysis of the antioxidant butylated hydroxytoluene (BHT) in water by means of solid phase extraction combined with GC/MS. | 2002-05 |
|
| Oxidative DNA damage and apoptosis induced by metabolites of butylated hydroxytoluene. | 1998-08-01 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 19:14:42 GMT 2025
by
admin
on
Mon Mar 31 19:14:42 GMT 2025
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| Record UNII |
95VTI93VUL
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| Record Status |
Validated (UNII)
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| Record Version |
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1620-98-0
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95VTI93VUL
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216-592-0
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C513957
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14450
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| Related Record | Type | Details | ||
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PARENT -> IMPURITY |
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