3-Methylcatechol - ≥98% , CAS No.488-17-5

CAS: 488-17-5 Cat. No.: M124478 Peso molecular: 124.14 Beilstein Registry Number: 774602 Número EC: 207-672-6

GRADE & PURITY ≥98%

Synonyms

BDBM50548725 | FT-0612043 | CHEBI:18404 | M0184 | 2-Hydroxy-3-methylphenol | MFCD00016435 | EINECS 207-672-6 | 3-Methyl-1,2-benzenediol | 3-methyl-1,2-dihydroxy benzene | 3-methylcatechol | AM808211 | BRN 0774602 | DTXSID9060071 | 2,3-Dihydroxytoluene; 3-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

BDBM50548725 | FT-0612043 | CHEBI:18404 | M0184 | 2-Hydroxy-3-methylphenol | MFCD00016435 | EINECS 207-672-6 | 3-Methyl-1, 2-benzenediol | 3-methyl-1, 2-dihydroxy benzene | 3-methylcatechol | AM808211 | BRN 0774602 | DTXSID9060071 | 2, 3-Dihydroxytoluene; 3-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504750381
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750381
• Sonrisas canónicas: CC1=C(C(=CC=C1)O)O
• IUPAC Name: 3-methylbenzene-1,2-diol
• InChIKey: PGSWEKYNAOWQDF-UHFFFAOYSA-N
• INCHI: 1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3
• Isómeros SMILES: CC1=C(C(=CC=C1)O)O
• WGK Alemania: 3
• RTECS: UX1910000
• Peso molecular: 124.14
• Beilstein: 774602
• Reaxy-Rn: 774602
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774602&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Benzenediols
• Intermediate Tree Nodes: Not available
• Direct Parent: Catechols
• Alternative Parents: Ortho cresols Meta cresols Toluenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-cresol - M-cresol - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as catechols. These are compounds containing a 1,2-benzenediol moiety.
• External Descriptors: a catechol

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

Objetivos asociados (humanos)

TRPA1 Tclin Transient receptor potential cation channel subfamily A member 1 (1 Activities)

Discover Target: TRPA1

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water.
• Sensibilidad: Light & Air sensitive
• Punto de inflamación (°C): 140°C
• Punto de ebullición (°C): 125°C
• Punto de fusión (°C): 62-68°C
• Peso molecular: 124.140 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 124.052 Da
• Monoisotopic Mass: 124.052 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 92.900
• 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

Referencias

1. Ran Wang, Chong Li, Jianxiang Wu, Wei Du, Tao Jiang, Yizhou Yang, Xuejing Yang, Ming Gong.  (2023)  Coordination-Promoted Bio-Catechol Electro-Reforming toward Sustainable Polymer Production.  Journal of the American Chemical Society,      [PMID:37503928] [10.1021/jacs.3c05120]

2. Xiangqi Liu, Wei Feng, Huijing Xiang, Baihui Liu, Mujie Ye, Meng Wei, Rui Dong, Yu Chen, Kuiran Dong.  (2021)  Multifunctional cascade nanocatalysts for NIR-II-synergized photonic hyperthermia-strengthened nanocatalytic therapy of epithelial and embryonal tumors.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2020.128364]

3. Kai Li, Yuan Wang, Xiao Guo, Bo Wang.  (2024)  Effects of Lignin-Diverted Reductant with Polyphenol Oxidases on Cellulose Degradation by Wild and Mutant Types of Lytic Polysaccharide Monooxygenase.  CURRENT ISSUES IN MOLECULAR BIOLOGY,  46  (4): (3694-3712).  [PMID:38666960] [10.3390/cimb46040230]

4. Xuehui Ge, Ya'nan Bian, Zhengke Tan, Yafei Cheng, Weixiong Jian, Bin Wu, Xiaocheng Lin.  (2025)  Novel polymers of intrinsic microporosity-based anion exchange membranes with high performance and robust stability for diffusion dialysis acid recovery.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2025.124407]

5. Ning Zhang, Yingmei Meng, Zhiying Li, Chuanlong Jin, Junjiang Bao, Xiaopeng Zhang, Gaohong He.  (2025)  Crosslinked microporous membrane with CO2-solution compensation for long-term decarbonization.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2025.133871]

6. Yafei Cheng, Chen Wang, Miaomiao Zheng, Lan Yang, Lihai Fan, Longqiang Xiao, Xiaocheng Lin.  (2025)  Constructing crosslinked and cationized PIM-1-based anion exchange membranes for efficient acid recovery via diffusion dialysis.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2025.124823]

7. Haiyang Shao, Chen Wang, Miaomiao Zheng, Yafei Cheng, Lihai Fan, Haiyang Yan, Xiaocheng Lin.  (2026)  Rapid and selective acid recovery enabled by structurally engineered, high-surface-area PIM-1 anion exchange membranes.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2026.125347]