4,6-Di-tert-butylresorcinol - CAS 5374-06-1
Catalog: |
BB028342 |
Product Name: |
4,6-Di-tert-butylresorcinol |
CAS: |
5374-06-1 |
Synonyms: |
4,6-ditert-butylbenzene-1,3-diol |
IUPAC Name: | 4,6-ditert-butylbenzene-1,3-diol |
Description: | 4,6-Di-tert-butylresorcinol (CAS# 5374-06-1 ) is a useful research chemical. |
Molecular Weight: | 222.32 |
Molecular Formula: | C14H22O2 |
Canonical SMILES: | CC(C)(C)C1=CC(=C(C=C1O)O)C(C)(C)C |
InChI: | InChI=1S/C14H22O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)8-11(9)15/h7-8,15-16H,1-6H3 |
InChI Key: | KJFMXIXXYWHFAN-UHFFFAOYSA-N |
Boiling Point: | 308.4 °C at 760 mmHg |
Melting Point: | 123 °C |
Purity: | > 98.0 % (GC) |
Density: | 1.012 g/cm3 |
Appearance: | White to gray to brown powder to crystal |
MDL: | MFCD00044513 |
LogP: | 3.69280 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112159313-A | Preparation method of big steric-hindrance bi-phenol skeleton and phosphonite ligand thereof | 20201030 |
CN-112341494-A | Novel large steric hindrance biphenyl triphenol skeleton and synthetic method of tridentate phosphonite ligand thereof | 20201014 |
CN-111747827-A | Biphenyl triphenol compound and preparation method and application thereof | 20200716 |
CN-111848683-A | Biphenyl tridentate phosphite ligand and preparation method and application thereof | 20200716 |
CN-111808426-A | Aromatic sulfone composition and preparation method and application thereof | 20200601 |
PMID | Publication Date | Title | Journal |
21353727 | 20110501 | Discovery of novel SERCA inhibitors by virtual screening of a large compound library | European journal of medicinal chemistry |
12585875 | 20030221 | Copper(II)-mediated autoxidation of tert-butylresorcinols | The Journal of organic chemistry |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.161979940 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.161979940 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.6 |
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