2,6-Di-tert-butyl-1,4-benzoquinone - CAS 719-22-2
Catalog: |
BB034495 |
Product Name: |
2,6-Di-tert-butyl-1,4-benzoquinone |
CAS: |
719-22-2 |
Synonyms: |
2,6-ditert-butylcyclohexa-2,5-diene-1,4-dione |
IUPAC Name: | 2,6-ditert-butylcyclohexa-2,5-diene-1,4-dione |
Description: | 2.6-Di-tert-butyl-p-benzoquinone was used as a treatment agent to improve germination, plant health and yield. |
Molecular Weight: | 220.31 |
Molecular Formula: | C14H20O2 |
Canonical SMILES: | CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C |
InChI: | InChI=1S/C14H20O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8H,1-6H3 |
InChI Key: | RDQSIADLBQFVMY-UHFFFAOYSA-N |
Boiling Point: | 285.4 °C at 760 mmHg |
Melting Point: | 65-67 °C |
Purity: | > 98.0 % (GC) |
Density: | 1.027 g/cm3 |
Appearance: | Yellow crystals |
MDL: | MFCD00001601 |
LogP: | 3.08320 |
Vapor Pressure: | 0.000411 [mmHg] |
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 |
22867434 | 20120820 | Radical pathway in catecholase activity with zinc-based model complexes of compartmental ligands | Inorganic chemistry |
22609166 | 20120629 | Multiple headspace-solid-phase microextraction as a powerful tool for the quantitative determination of volatile radiolysis products in a multilayer food packaging material sterilized with γ-radiation | Journal of chromatography. A |
22093692 | 20120115 | Oxidation of synthetic phenolic antioxidants during water chlorination | Journal of hazardous materials |
21696132 | 20111017 | Tale of a twist: magnetic and optical switching in copper(II) semiquinone complexes | Inorganic chemistry |
21879087 | 20111014 | Isomeric separation in donor-acceptor systems of Pd(II) and Pt(II) and a combined structural, electrochemical and spectroelectrochemical study | Dalton transactions (Cambridge, England : 2003) |
Complexity: | 359 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.146329876 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.146329876 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 34.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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