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2-Methylresorcinol - technical grade, 90%, high purity , CAS No.608-25-3
Basic Description
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
Specifications & Purity
technical grade, ≥90%
Shipped In
Normal
Grade
technical grade
Product Description
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.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
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
Description
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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
504752207
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504752207
IUPAC Name
2-methylbenzene-1,3-diol
INCHI
InChI=1S/C7H8O2/c1-5-6(8)3-2-4-7(5)9/h2-4,8-9H,1H3
InChIKey
ZTMADXFOCUXMJE-UHFFFAOYSA-N
Smiles
CC1=C(C=CC=C1O)O
Isomeric SMILES
CC1=C(C=CC=C1O)O
WGK Germany
3
RTECS
VH2009500
UN Number
2811
Packing Group
III
Molecular Weight
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=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in water (140 mg/ml at 20 °C), and methanol.
Flash Point(°F)
275 °F
Flash Point(°C)
135 °C
Boil Point(°C)
264 °C (lit.)
Melt Point(°C)
119-123°C
Molecular Weight
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
Citations of This Product
1.
Zhu Anlian, Li Qixing, Feng Wanlu, Fan Dongshuang, Li Lingjun.
(2021)
Biocompatible Ionic Liquid Promote One-Pot Synthesis of 2-Amino-4H-Chromenes Under Ambient Conditions. CATALYSIS LETTERS,
151
(3):
(720-733).
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).
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2 Citations
L2208917