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1620-98-0

1620-98-0 | Benzaldehyde, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-

CAS No: 1620-98-0 Catalog No: AG001SLR MDL No:MFCD00008826

Product Description

Catalog Number:
AG001SLR
Chemical Name:
Benzaldehyde, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-
CAS Number:
1620-98-0
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
MDL Number:
MFCD00008826
IUPAC Name:
3,5-ditert-butyl-4-hydroxybenzaldehyde
InChI:
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
InChI Key:
DOZRDZLFLOODMB-UHFFFAOYSA-N
SMILES:
O=Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
EC Number:
216-592-0
UNII:
95VTI93VUL
NSC Number:
14450

Properties

Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.162g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.339g/mol
Monoisotopic Mass:
234.162g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  

Literature

Title Journal
Screening of endocrine activity of compounds migrating from plastic baby bottles using a multi-receptor panel of in vitro bioassays. Toxicology in vitro : an international journal published in association with BIBRA 20161201
SPME and GC-MS analysis of triethylene glycol dimethacrylate released from dental composite. Journal of chromatographic science 20100201
Mechanisms of cytotoxicity of 2- or 2,6-di-tert-butylphenols and 2-methoxyphenols in terms of inhibition rate constant and a theoretical parameter. Chemosphere 20090201
Searching for anthropogenic contaminants in human breast adipose tissues using gas chromatography-time-of-flight mass spectrometry. Journal of mass spectrometry : JMS 20090101
Target and nontarget screening of organic micropollutants in water by solid-phase microextraction combined with gas chromatography/high-resolution time-of-flight mass spectrometry. Analytical chemistry 20071215
Monitoring of BHT-quinone and BHT-CHO in the gas of capsules of Asclepias physocarpa. Zeitschrift fur Naturforschung. C, Journal of biosciences 20060101
Radical-scavenging activity of butylated hydroxytoluene (BHT) and its metabolites. Chemistry and physics of lipids 20040701
Optimization of photocatalytic oxidation of 2,2',3,3'-tetrachlorobiphenyl. Journal of hazardous materials 20040618
Monitoring of the antioxidant BHT and its metabolite BHT-CHO in German river water and ground water. The Science of the total environment 20040205
Short synthesis of tert-butyl-hydroxylated 3,5-di-tert-butyl-4-hydroxybenzaldehyde: Synthesis of tert-butyl-hydroxylated S-2474. The Journal of organic chemistry 20030207
Analysis of the antioxidant butylated hydroxytoluene (BHT) in water by means of solid phase extraction combined with GC/MS. Water research 20020501

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