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· · COA & SDS available for every product · Same-day shipping on in-stock items 2,6-Dimethylbenzoquinone - ≥98% , CAS No.527-61-7
Synonyms
p-Benzoquinone,6-dimethyl- | 2,6-dimethylcyclohexa-2,5-diene-1,4-dione | 2,6-Xyloquinone | InChI=1/C8H8O2/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H | SCHEMBL21463 | 2,6-Dimethylbenzo-1,4-quinone | D2234 | ghl.PD_Mitscher_leg0.748 | 2,6-Dimethyl-1,4-quinone | 2,6
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
p-Benzoquinone, 6-dimethyl- | 2, 6-dimethylcyclohexa-2, 5-diene-1, 4-dione | 2, 6-Xyloquinone | InChI=1/C8H8O2/c1-5-3-7(9)4-6(2)8(5)10/h3-4H, 1-2H | SCHEMBL21463 | 2, 6-Dimethylbenzo-1, 4-quinone | D2234 | ghl.PD_Mitscher_leg0.748 | 2, 6-Dimethyl-1, 4-quinone | 2, 6
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid 504754271 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504754271 Canonical Smiles CC1=CC(=O)C=C(C1=O)C IUPAC Name 2,6-dimethylcyclohexa-2,5-diene-1,4-dione InChIKey SENUUPBBLQWHMF-UHFFFAOYSA-N INCHI 1S/C8H8O2/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3 Isomeric SMILES CC1=CC(=O)C=C(C1=O)C WGK Germany 3 RTECS DK4825000 UN Number 2811 Molecular Weight 136.15 Beilstein 7(4)2094 Reaxy-Rn 2041345 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2041345&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organic oxygen compounds Class Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Cyclic ketones - Quinones - Benzoquinones Direct Parent P-benzoquinones Alternative Parents Organic oxides Hydrocarbon derivatives Molecular Framework Aliphatic homomonocyclic compounds Substituents P-benzoquinone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as p-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 4-positions, respectively. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Soluble in chloroform. Insoluble in water. Melt Point(°C) 71-74°C Molecular Weight 136.150 g/mol XLogP3 1.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 0 Exact Mass 136.052 Da Monoisotopic Mass 136.052 Da Topological Polar Surface Area 34.100 Ų Heavy Atom Count 10 Formal Charge 0 Complexity 232.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
Citations of This Product References 1. Li Zixin, Xu Quanlong, Gou Faliang, He Bing, Chen Wei, Zheng Weiwei, Jiang Xu, Chen Kai, Qi Chenze, Ma Dekun. (2021) Gd-doped CuBi2O4/CuO heterojunction film photocathodes for photoelectrochemical H2O2 production through oxygen reduction. Nano Research, 14 (10): (3439-3445). [PMID: [10.1007/s12274-021-3638-y ] 2. Xiao Tu, Jiaxin Hu, Jinghao Peng, Qihan Chen, Yangle Zhao, Zemao Gu. (2025) Discovery of thymoquinone analogues with high anthelmintic activity against monogenean infections in goldfish (Carassius auratus). VETERINARY PARASITOLOGY, [PMID:39837239 ] [10.1016/j.vetpar.2025.110401 ]
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