Veratrole - Standard for GC, ≥99.5%(GC) , CAS No.91-16-7

CAS: 91-16-7 Cat. No.: V108548 Molecular Weight: 138.16 Beilstein Registry Number: 1364621 EC Number: 202-045-3 PubChem CID: 7043

GRADE & PURITY Standard for GC, ≥99.5%(GC)

Synonyms

Catechol dimethyl ether | EN300-16122 | HY-B1812 | 2-Dimethoxybenzol | Guaiacol methylether | NSC 16934 | Q-200062 | Q131994 | STL146732 | ghl.PD_Mitscher_leg0.397 | Methyl guaiacol | 1,2-Dimethoxybenzene, puriss., >=99.0% (GC) | AKOS000120951 | F1908-010

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Catechol dimethyl ether | EN300-16122 | HY-B1812 | 2-Dimethoxybenzol | Guaiacol methylether | NSC 16934 | Q-200062 | Q131994 | STL146732 | ghl.PD_Mitscher_leg0.397 | Methyl guaiacol | 1, 2-Dimethoxybenzene, puriss., >=99.0% (GC) | AKOS000120951 | F1908-010

Specifications & Purity

Standard for GC, ≥99.5%(GC)

Storage

Room temperature

Shipped In

Normal

Grade

Standard for GC

Purity

≥99.5%(GC)

Names and Identifiers

• Canonical Smiles: COC1=CC=CC=C1OC
• IUPAC Name: 1,2-dimethoxybenzene
• InChIKey: ABDKAPXRBAPSQN-UHFFFAOYSA-N
• INCHI: 1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3
• Isomeric SMILES: COC1=CC=CC=C1OC
• WGK Germany: 1
• RTECS: CZ6475000
• PubChem CID: 7043
• Molecular Weight: 138.16
• Beilstein: 1364621

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Phenoxy compounds Anisoles Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Phenol ether - Anisole - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• External Descriptors: dimethoxybenzene

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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CA2 Tclin Carbonic anhydrase 2 (2 Activities)

Discover Target: CA2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA6 Tclin Carbonic anhydrase VI (993 Activities)

Discover Target: CA6

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CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

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CA14 Tclin Carbonic anhydrase XIV (1305 Activities)

Discover Target: CA14

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CA12 Tclin Carbonic anhydrase XII (6231 Activities)

Discover Target: CA12

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CA9 Tclin Carbonic anhydrase IX (8255 Activities)

Discover Target: CA9

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Associated Targets(non-human)

Ca7 Carbonic anhydrase VII (3 Activities)

Discover Target: Ca7

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA4 Carbonic anhydrase IV (1713 Activities)

Discover Target: CA4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Trichoplusia ni (986 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Freezing Point(°C): 21 °C
• Refractive Index: 1.5827
• Flash Point(°F): 87℃
• Flash Point(°C): 87℃
• Boil Point(°C): 206-207°C
• Melt Point(°C): 22-23°C
• Molecular Weight: 138.160 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 138.068 Da
• Monoisotopic Mass: 138.068 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 81.300
• 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

References

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2. Lang Ming, Yuan-Wen Du, Ge-Ge Yuan, Qi Su, Xiao-Bing Shi, Huan Yu, Gong Chen.  (2023)  Spodoptera litura larvae are attracted by HvAV-3h-infected S. litura larvae-damaged pepper leaves.  PEST MANAGEMENT SCIENCE,  79  (8): (2713-2724).  [PMID:36905637] [10.1002/ps.7449]

3. Jiana Lin, Xiaoyan Ouyang, Yuling Hu, Gongke Li, Qisheng Zhong.  (2023)  Primary amide-functionalized cyclotricatechylene covalent organic frameworks membrane for efficient enrichment of melamine and its derivatives in migration solution of food contact materials.  JOURNAL OF SEPARATION SCIENCE,  46  (6): (202200862).  [PMID:36680331] [10.1002/jssc.202200862]

4. Yanan Qiao, Huifang Deng, Lihua Liu, Shuran Liu, Luyao Ren, Chuandao Shi, Xi Chen, Lixia Guan, Weiran Liu, Zehua Li, Yunlan Li.  (2023)  Highly Accessible Computational Prediction and In Vivo/In Vitro Experimental Validation: Novel Synthetic Phenyl Ketone Derivatives as Promising Agents against NAFLD via Modulating Oxidoreductase Activity.  Oxidative Medicine and Cellular Longevity,      [PMID:36659905] [10.1155/2023/3782230]

5. Xinxiu Cao, Liang Xie, Xinyu Zhu, Jiayu Lv, Hui Fan.  (2022)  The principles of selecting green solvent additives for optimizing the phase separation structure of polymer solar cells based on PTB7:PC71BM.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2022.111603]

6. Yang Guangxu, Gong Zhenggang, Luo Xiaolin, Shuai Li.  (2022)  Revisiting alkaline cupric oxide oxidation method for lignin structural analysis.  Frontiers in Bioengineering and Biotechnology,      [PMID:36159682] [10.3389/fbioe.2022.1002145]

7. Xiaoyan Ouyang, Ruiyu Liang, Yuling Hu, Gongke Li, Changying Hu, Qisheng Zhong.  (2021)  Hollow tube covalent organic framework for syringe filter-based extraction of ultraviolet stabilizer in food contact materials.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:34537658] [10.1016/j.chroma.2021.462538]

8. Zhenyu Lu, Xiaotian Lu, Ling Xia, Yanhui Zhong, Gongke Li, Yufei Hu.  (2021)  Cobalt doped nitrogenous porous carbon derived from covalent organic framework as cataluminescence catalyst for rapid determination of n-hexane in edible oil.  TALANTA,      [PMID:34074414] [10.1016/j.talanta.2021.122428]

9. Haichuan Zhang, Yang Liu, Shiyu Fu, Yulin Deng.  (2020)  Selective hydrodeoxygenation of lignin model compound (3,4-dimethoxybenzyl alcohol) by Pd/CNX catalyst.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:33345971] [10.1016/j.ijbiomac.2020.12.092]

10. Lei Zhang, Gan Jin, Tianlin Ma, Shi Wang.  (2020)  Ion transport in topological all-solid-state polymer electrolyte improved via graphene-oxide.  JOURNAL OF APPLIED POLYMER SCIENCE,  138  (14): (50173).  [PMID:] [10.1002/app.50173]

11. Jindong Wang, Wenzhi Li, Huizhen Wang, Ajibola Temitope Ogunbiyi, Xiaomeng Dou, Qiaozhi Ma.  (2020)  Effects of the novel catalyst Ni–S2O82−–K2O/TiO2 on efficient lignin depolymerization.  RSC Advances,  10  (14): (8558-8567).  [PMID:35497830] [10.1039/C9RA10675H]

12. Ruiyu Liang, Yuling Hu, Gongke Li.  (2020)  Photochemical synthesis of magnetic covalent organic framework/carbon nanotube composite and its enrichment of heterocyclic aromatic amines in food samples.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:31959461] [10.1016/j.chroma.2020.460867]

13. Cheng Hao, Wu Shubin, Huang Jinbao, Zhang Xiaohua.  (2017)  Direct evidence from in situ FTIR spectroscopy that o-quinonemethide is a key intermediate during the pyrolysis of guaiacol.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  409  (10): (2531-2537).  [PMID:28188351] [10.1007/s00216-017-0194-0]

14. Xiaohua Li, Zhitao Lei, Yu Cao, Shanshan Shao, Shiliang Wu.  (2025)  Aqueous-phase hydrogenation of various lignin-derived phenols to cycloketones as platform compounds over Br modified metal-acid mixed catalyst.  ENERGY,      [PMID:] [10.1016/j.energy.2025.135025]

15. Hairui Jiao, Guifeng Xu, Yushuai Sang, Hong Chen, Yongdan Li.  (2024)  Direct conversion of enzymatic hydrolysis lignin to cycloalkane fuel with hydrotalcite-derived Ni catalyst.  CATALYSIS TODAY,      [PMID:] [10.1016/j.cattod.2024.114542]

16. Haoquan Guo, Jiwu Zhao, Yu Chen, Xinyu Lu, Yue Yang, Chenrong Ding, Lizhi Wu, Li Tan, Jinlin Long, Guohui Yang, Yu Tang, Noritatsu Tsubaki, Xiaoli Gu.  (2024)  Mechanistic Insights into Hydrodeoxygenation of Lignin Derivatives over Ni Single Atoms Supported on Mo2C.  ACS Catalysis,      [PMID:] [10.1021/acscatal.3c04555]

17. Zifan Wu, Lu Chen, Yacong Deng, Yuting Qiu, Bin Liu, Yichuan Li, Yuan Pan, Bin Dong, Yongming Chai.  (2025)  Direct solvolysis of papermaking black liquor in strong alkali coupled with catalytic hydrodeoxygenation to produce aviation fuel-range arenes.  INDUSTRIAL CROPS AND PRODUCTS,      [PMID:] [10.1016/j.indcrop.2025.121823]

18. Shao-Lu Li, Qiyu Duan, Mengfan Wang, Bo Wu, Ning Yu, Genghao Gong, Yunxia Hu.  (2025)  High-performance microporous organic solvent nanofiltration composite membrane prepared from a contorted maleimidoanthracene biscatechol monomer.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.162706]

19. Zifan Wu, Lu Chen, Yacong Deng, Fengyu Tian, Guangzheng Sun, Yuting Qiu, Yichuan Li, Yuan Pan, Bin Liu, Bin Dong, Yongming Chai.  (2025)  Ni-Mo alloy anchored on carbon nitride coated γ-Al2O3 for hydrodeoxygenation of lignin-derived phenols into aviation fuel-range cycloalkanes.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.164876]

20. Nian Cao, Yubo Yang, Xiaoling Xiong, Bohan Zhang, Ping Xiang, Fan Yang.  (2026)  Dynamic sensory mapping: how sip volume shapes sensory perception and drinking comfort of Jiangxiangxing Baijiu.  INTERNATIONAL JOURNAL OF FOOD PROPERTIES,      [PMID:] [10.1080/10942912.2026.2618833]

21. Xin Han, Shanguang Xu, Fan Zhang, Ruiying Chai, Shanguo Du, Xiuling Jiao, Dairong Chen, Jie Zhang.  (2026)  Enhanced Hydrodeoxygenation of Guaiacol to Phenol over MgO-Supported Pt Catalysts: The Critical Role of Sodium Promotion.  ACS Catalysis,      [PMID:] [10.1021/acscatal.6c00446]