Trimethylhydroquinone - ≥97% , CAS No.700-13-0

CAS: 700-13-0 Cat. No.: T106610 Summenformel: C₉H₁₂O₂ Molekulargewicht: 152.19 Beilstein Registry Number: 1909183 EG-Nummer: 211-838-3 PubChem CID: 12785

GRADE & PURITY ≥97%

Synonyms

1, 2,3,5-trimethyl- | GSY6340N4A | UNII-GSY6340N4A | DTXCID9031018 | SR-01000944714-1 | Trimethylhydroquinone | trimethyl-hydroquinone | CHEBI:176794 | .psi.-Cumohydroquinone | 2,3,5-Trimethyl-1,4-benzenediol | Q27279264 | NSC401617 | NSC-401617 | AS-1279

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

1, 2,3,5-trimethyl- | GSY6340N4A | UNII-GSY6340N4A | DTXCID9031018 | SR-01000944714-1 | Trimethylhydroquinone | trimethyl-hydroquinone | CHEBI:176794 | .psi.-Cumohydroquinone | 2,3,5-Trimethyl-1,4-benzenediol | Q27279264 | NSC401617 | NSC-401617 | AS-1279

Spezifikationen & Reinheit

≥97%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 488181738
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181738
• Kanonisches Lächeln: CC1=CC(=C(C(=C1O)C)C)O
• IUPAC Name: 2,3,5-trimethylbenzene-1,4-diol
• InChIKey: AUFZRCJENRSRLY-UHFFFAOYSA-N
• INCHI: 1S/C9H12O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4,10-11H,1-3H3
• Isomere SMILES: CC1=CC(=C(C(=C1O)C)C)O
• WGK Deutschland: 2
• RTECS: MX7820000
• PubChem CID: 12785
• UN-Nummer: 3077
• Molekulargewicht: 152.19
• Beilstein: 1909183
• Reaxy-Rn: 1909183

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenols
      • Subclass Benzenediols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenols
• Subclass: Benzenediols
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinones
• Alternative Parents: Ortho cresols Meta cresols 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-cresol - M-cresol - Hydroquinone - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as hydroquinones. These are compounds containing a hydroquinone moiety, which consists of a benzene ring with a hydroxyl groups at positions 1 and 4.
• 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.

DOI: 10.1186/s13321-016-0174-y

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water (2 g/L @ 20°C）
• Empfindlichkeit: Light & air sensitive
• Flammpunkt (°F): 375.8 °F
• Flammpunkt (°C): 191℃
• Siedepunkt (°C): 295°C
• Schmelzpunkt (°C): 169-174°
• Molekulargewicht: 152.190 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 152.084 Da
• Monoisotopic Mass: 152.084 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 136.000
• 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

Referenzen

1. Dongdong Wang, Mu Li, Hanning Zhang, Congshu Feng, Lili Wu, Lesan Yan.  (2023)  A Novel Redox-Sensitive Drug Delivery System Based on Trimethyl-Locked Polycarbonate.  BIOMACROMOLECULES,      [PMID:37585690] [10.1021/acs.biomac.3c00702]

2. Jinhai Xie, Shuangyu Tian, Hanning Zhang, Congshu Feng, Yingchao Han, Honglian Dai, Lesan Yan.  (2023)  A Novel NQO1 Enzyme-Responsive Polyurethane Nanocarrier for Redox-Triggered Intracellular Drug Release.  BIOMACROMOLECULES,      [PMID:37040694] [10.1021/acs.biomac.3c00134]

3. Zelin Chen, Bowen Li, Xin Xie, Fang Zeng, Shuizhu Wu.  (2017)  A sequential enzyme-activated and light-triggered pro-prodrug nanosystem for cancer detection and therapy.  Journal of Materials Chemistry B,  6  (17): (2547-2556).  [PMID:32254473] [10.1039/C7TB01989K]

4. Shuang Zheng, Pengyong Yang, Fumin Zhang, De-Li Chen, Weidong Zhu.  (2017)  Pd nanoparticles encaged within amine-functionalized metal-organic frameworks: Catalytic activity and reaction mechanism in the hydrogenation of 2,3,5-trimethylbenzoquinone.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2017.07.099]

5. Shuai Yang, Jinhai Xie, Dongdong Wang, Shuangyu Tian, Yaodong Di, Lesan Yan.  (2024)  A dual-responsive polyurethane nanocarrier for drug release triggered by intracellular GSH and NQO1 enzyme.  Polymer Chemistry,  15  (24): (2513-2527).  [PMID:] [10.1039/D4PY00320A]

6. Xiaopeng Shi, Haotong Lin, Qi Ouyang, guanqun luo, Xianghong Lu, Jianbing Ji, Kaige Wang.  (2025)  Biochemical to enable Biorefinery: A case study of polyphenols extraction from Bio-oil for Utilization as Biodiesel Antioxidants.  GREEN CHEMISTRY,      [PMID:] [10.1039/D5GC00184F]

7. Cao Xueling, Li Guohui, He Danfeng, Li Fei.  (2026)  Fluorescence Turn-on Detection of Food Freshness Triggered by Competitive Displacement: Determination of Histamine Content in Fish.  Food Analytical Methods,  19  (2): (89).  [PMID:] [10.1007/s12161-026-02997-x]