3,5-Di-tert-butyl-4-hydroxybenzaldehyde - CAS 1620-98-0
Catalog: |
BB011832 |
Product Name: |
3,5-Di-tert-butyl-4-hydroxybenzaldehyde |
CAS: |
1620-98-0 |
Synonyms: |
3,5-ditert-butyl-4-hydroxybenzaldehyde; 3,5-ditert-butyl-4-hydroxybenzaldehyde |
IUPAC Name: | 3,5-ditert-butyl-4-hydroxybenzaldehyde |
Description: | 3,5-Di-tert-butyl-4-hydroxybenzaldehyde (CAS# 1620-98-0) is used as a reagent in the synthesis of a series of quinolinone-chalcones which have anti-parasitic activity. Also used as a reagent in the synthesis of thiazolo[3,2-b][1,2,4]triazole-6(5H)-one derivatives as potent analgesic and anti-inflammatory agents. |
Molecular Weight: | 234.33 |
Molecular Formula: | C15H22O2 |
Canonical SMILES: | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=O |
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 |
Boiling Point: | 289.2 °C at 760 mmHg |
Density: | 1.006 g/cm3 |
MDL: | MFCD00008826 |
LogP: | 3.79970 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
27633901 | 20161201 | 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 |
22093692 | 20120115 | Oxidation of synthetic phenolic antioxidants during water chlorination | Journal of hazardous materials |
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Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.161979940 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.161979940 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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