2-Methylresorcinol - technical grade, ≥90% , CAS No.608-25-3

CAS: 608-25-3 Cat. No.: M135030 分子式: C₇H₈O₂ 分子量: 124.14 Beilstein Registry Number: 6878 EC番号: 210-155-8

GRADE & PURITY Technical grade, ≥90%

Synonyms

DTXSID0025571 | ORISTAR MR | Resorcinol, 2-methyl- | DTXCID005571 | M1109 | 2,6-Dihydroxytoluene | 2,6-Dihydroxy-toluene | 2-METHYLRESORCINOL [INCI] | 2-Methylresorcin | 2-Methylresorcinol, technical grade, 90% | M-4340 | AI3-61050 | EINECS 210-155-8 | ME

Storage

Room temperature

Shipped In

Normal

概要

The reaction between 2-methylresorcinol and 2-alkenals was studied to investigate the scavenging ability of m-diphenols for the 2-alkenals formed during lipid oxidation.
2-Methylresorcinol was used in the synthesis of: C-5-bromo-2-hydroxyphenylcalix[4]-2-methylresorcinarene; tripyrrane analogs; series of novel aromatic benziporphyrins.

Specifications

同義語

DTXSID0025571 | ORISTAR MR | Resorcinol, 2-methyl- | DTXCID005571 | M1109 | 2,6-Dihydroxytoluene | 2,6-Dihydroxy-toluene | 2-METHYLRESORCINOL [INCI] | 2-Methylresorcin | 2-Methylresorcinol, technical grade, 90% | M-4340 | AI3-61050 | EINECS 210-155-8 | ME

仕様と純度

technical grade, ≥90%

保管条件

Room temperature

入荷

Normal

等級

工業用グレード

純度

≥90%

名前と識別子

• パブケム・シド: 504752207
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504752207
• カノニカル・スマイル: CC1=C(C=CC=C1O)O
• IUPAC Name: 2-methylbenzene-1,3-diol
• InChIKey: ZTMADXFOCUXMJE-UHFFFAOYSA-N
• INCHI: 1S/C7H8O2/c1-5-6(8)3-2-4-7(5)9/h2-4,8-9H,1H3
• 異性体SMILES: CC1=C(C=CC=C1O)O
• WGKドイツ: 3
• RTECS: VH2009500
• UN番号: 2811
• 包装グループ: III
• 分子量: 124.14
• Beilstein: 6878
• Reaxy-Rn: 2042177
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042177&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenols
• Subclass: Benzenediols
• Intermediate Tree Nodes: Not available
• Direct Parent: Resorcinols
• Alternative Parents: Ortho cresols Toluenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Resorcinol - O-cresol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as resorcinols. These are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3.
• 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water (140 mg/ml at 20 °C), and methanol.
• 引火点（°F）: 275 °F
• 引火点（°C）: 135 °C
• 沸点（°C）: 264 °C (lit.)
• 融点（°C）: 119-123°C
• 分子量: 124.140 g/mol
• XLogP3: 1.600
• 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: 82.900
• 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

参考文献

1. Zhu Anlian, Li Qixing, Feng Wanlu, Fan Dongshuang, Li Lingjun.  (2020)  Biocompatible Ionic Liquid Promote One-Pot Synthesis of 2-Amino-4H-Chromenes Under Ambient Conditions.  CATALYSIS LETTERS,  151  (3): (720-733).  [PMID:] [10.1007/s10562-020-03332-7]

2. Yuhua Zhang, Jiayi Jiang, Ningbo Qin, Qian Zhang, Chunyan Yan.  (2019)  Biotransformation of 4-methylcoumarins by cambial meristematic cells of Camptotheca acuminata.  RSC Advances,  9  (17): (9449-9456).  [PMID:35520693] [10.1039/C9RA00522F]

よくある質問

What is the purity of this product?

This product is supplied at ≥90% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What does technical grade mean?

technical grade indicates that the material has been processed and tested for specialty industrial processing. Specifications focus on the impurities that affect performance in that application — for example, metal content for electronics, particle size for batteries, refractive index for optics, or moisture content for moisture-sensitive processes.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 608-25-3, the molecular formula is C7H8O2, and the molecular weight is 124.14 g/mol. InChIKey ZTMADXFOCUXMJE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.