Duroquinone - CAS 527-17-3
Catalog: |
BB027916 |
Product Name: |
Duroquinone |
CAS: |
527-17-3 |
Synonyms: |
2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione |
IUPAC Name: | 2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione |
Description: | Duroquinone (CAS# 527-17-3) is an antioxidant. |
Molecular Weight: | 164.20 |
Molecular Formula: | C10H12O2 |
Canonical SMILES: | CC1=C(C(=O)C(=C(C1=O)C)C)C |
InChI: | InChI=1S/C10H12O2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h1-4H3 |
InChI Key: | WAMKWBHYPYBEJY-UHFFFAOYSA-N |
Boiling Point: | 230.1 °C at 760 mmHg |
Purity: | > 98.0 % (GC) |
Density: | 1.039 g/cm3 |
Appearance: | Yellow powder |
MDL: | MFCD00001604 |
LogP: | 1.81100 |
Vapor Pressure: | 0.00288 [mmHg] |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
23008071 | 20121115 | Anomalously long-lived molecular negative ions of duroquinone | Rapid communications in mass spectrometry : RCM |
22510814 | 20120528 | Sunlight-driven synthesis of γ-diketones via oxidative coupling of enamines with silyl enol ethers catalyzed by [Ru(bpy)3]2+ | Chemical communications (Cambridge, England) |
22239467 | 20120208 | Photocontrollable peroxynitrite generator based on N-methyl-N-nitrosoaminophenol for cellular application | Journal of the American Chemical Society |
22223489 | 20120206 | Syntheses, properties, and photoreactions of the hybrid molecules consisting of a Co(II) mononuclear complex and porphyrins | Chemistry (Weinheim an der Bergstrasse, Germany) |
22455029 | 20120101 | Electron solvation dynamics and reactivity in ionic liquids observed by picosecond radiolysis techniques | Faraday discussions |
Complexity: | 268 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.083729621 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 34.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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