1.1
Catalysts:
Choline chloride
,
Imidazole
;
150 °C
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- 527-55-9
4,5-Dimethylbenzene-1,3-diol | 527-55-9
- 4,5-Dimethylbenzene-1,3-diol
- 1,3-Benzenediol,4,5-dimethyl-
- 4,5-DIMETHYLRESORCINOL
- 1,3-dihydroxy-4,5-dimethylbenzene
- 1,5-dihydroxy-3,4-dimethylbenzene
- 1,5-dihydroxybenzene
- 2,3-dimethyl-5-hydroxyphenol
- 2,4-dihydroxy-6-methyltoluene
- 3,2-dimethylbenzene
- 4,5-dimethyl-1,3-dihydroxybenzene
- 4,5-dimethyl-benzene-1,3-diol
- 4-Methylorcinol
- o-Xylorcinol
- Resorcinol,5-dimethyl
- NSC-243682
- NSC 243682
- 1,2-Dimethyl-3,5-dihydroxybenzene
- 1,3-Dihydroxy-4,5-dimethyl benzene
- 1,3-Dihydroxy-4,5-dimethylbenzene
- 4,5-dimethylbenzene-1,3-diol
- AKOS006272741
- Resorcinol, 4,5-dimethyl-
- W3FCQ2N8R4
- UNII-W3FCQ2N8R4
- DTXSID40200663
- SCHEMBL69242
- 4,5-Dimethyl-1,3-benzenediol
- 1,3-Benzenediol, 4,5-dimethyl-
- 3,5-Dihydroxy-1,2-dimethylbenzene
- FT-0617207
- 4,5-Dimethyl-1,3-benzenediol #
- NS00032573
- Resorcinol,5-dimethyl-
- A829236
- 527-55-9
- NSC243682
- 4,5-Dimethyl-1,3-dihydroxybenzene
- MDL：MFCD00195568
- InChIKey：RCNCKKACINZDOI-UHFFFAOYSA-N
- Inchi：InChI=1S/C8H10O2/c1-5-3-7(9)4-8(10)6(5)2/h3-4,9-10H,1-2H3
- SMILES：CC1=CC(=CC(=C1C)O)O
Computed Properties
- 精确分子量: 138.06800
- 氢键供体数量: 2
- 氢键受体数量: 2
- 可旋转化学键数量: 0
- 同位素质量: 138.06808
- 重原子数量: 10
- 复杂度: 114
- 同位素原子数量: 0
- 确定原子立构中心数量: 0
- 不确定原子立构中心数量: 0
- 确定化学键立构中心数量: 0
- 不确定化学键立构中心数量: 0
- 共价键单元数量: 1
- 疏水参数计算参考值（XlogP）: 1.9
- 拓扑分子极性表面积: 40.5
Experimental Properties
- LogP: 1.71460
- PSA: 40.46000
- 折射率: 1.5231 (estimate)
- 沸点: 213.57°C (rough estimate)
- 熔点: 135-137 C
- 蒸气压: 0.0±0.6 mmHg at 25°C
- 闪点: 132.5±16.4 °C
- 颜色与性状: No data available
- 密度: 1.1994
- 安全说明：S26; S36/37
- 风险术语：R36/37/38
-
危險品標誌：
Xi
- 危害声明：H303吞入可能有害+H313皮肤接触可能有害+H333吸入可能对身体有害
- 警示性声明：P264处理后彻底清洗+P280戴防护手套/穿防护服/戴防护眼罩/戴防护面具+P305如果进入眼睛+P351用水小心冲洗几分钟+P338取出隐形眼镜（如果有）并且易于操作,继续冲洗+P337如果眼睛刺激持续+P313获得医疗建议/护理
- 储存条件：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
- 危险类别码：36/37/38
- 信号词：warning
Synthetic Circuit 1
Reaction Conditions
+ 展開
Reference
Insights into alkaline choline chloride-based deep eutectic solvents pretreatment for Populus deltoides: Lignin structural features and modification mechanism
,
International Journal of Biological Macromolecules,
2021,
193,
319-327
- 1. 640. Derivatives of 4 : 5-dimethylresorcinol Alexander Robertson,W. B. Whalley J. Chem. Soc. 1949 3038
- 2. Sustainable energy and fuels from biomass: a review focusing on hydrothermal biomass processing Koray Alper,Kubilay Tekin,Selhan Karag?z,Arthur J. Ragauskas Sustainable Energy Fuels 2020 4 4390
- 3. Thinking big about small beings – the (yet) underdeveloped microbial natural products chemistry in Brazil Laura P. Ióca,Pierre-Marie Allard,Roberto G. S. Berlinck Nat. Prod. Rep. 2014 31 646
- 4. Talaroketals A and B, unusual bis(oxaphenalenone) spiro and fused ketals from the soil fungus Talaromyces stipitatus ATCC 10500 Yi Zang,Grégory Genta-Jouve,Pascal Retailleau,Alexandre Escargueil,Stéphane Mann,Bastien Nay,Soizic Prado Org. Biomol. Chem. 2016 14 2691
- 5. Antimicrobial potentials of natural products against multidrug resistance pathogens: a comprehensive review Abeer H. Elmaidomy,Nourhan Hisham Shady,Khaled Mohamed Abdeljawad,Mohamed Badran Elzamkan,Hussein Hykel Helmy,Emad Ashour Tarshan,Abanoub Nabil Adly,Yasmin Hamdy Hussien,Nesma Gamal Sayed,Ahmed Zayed,Usama Ramadan Abdelmohsen RSC Adv. 2022 12 29078
- 6. Organic chemistry J. Chem. Soc. Abstr. 1904 86 A361
- 7. Index of authors, 1949 J. Chem. Soc. 1949 3439
- 8. Notes T. Lloyd Fletcher,Moses J. Namkung,W. Hogg,D. M. McKinnon,A. F. Trotman-Dickenson,G. J. O. Verbeke,P. F. Holt,B. I. Hopson-Hill,C. J. McNae,J. Blackwell,W. J. Hickinbottom,A. J. Birch,J. Grimshaw,C. L. Arcus,G. C. Barrett,R. T. Ferris,D. Hamer,R. Letters,A. M. Michelson,Keith D. Warren,R. P. Bell,M. H. Ford-Smith,J. S. Morley,J. Chatt,F. A. Hart,M. A. Bennett,G. Wilkinson,M. J. Allen,J. Vikin J. Chem. Soc. 1961 1400
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| Brand:alichem | Supplier:Alichem | ||||||
|---|---|---|---|---|---|---|---|
| No. | Purity | Stock | Specification | Price | update time | operate | |
| A019087095-1g | 95% | Inquiry | 1g | $394.32/ ¥2,864.03 | 01 Sep. 2023 | ||
| Brand:a2bchem | Supplier:A2B Chem LLC | ||||||
|---|---|---|---|---|---|---|---|
| No. | Purity | Stock | Specification | Price | update time | operate | |
| AG21566-1g | 3 weeks | 1g | $467.00/ ¥3,391.91 | 30 Dec. 2023 | |||
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