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2,3-Dimethylphenol - analytical standard, high purity , CAS No.526-75-0
Basic Description
Synonyms
2,3-DIMETHYLPHENOL | 526-75-0 | 2,3-Xylenol | Dimethylphenol | 1-Hydroxy-2,3-dimethylbenzene | 1300-71-6 | Phenol, 2,3-dimethyl- | o-Xylenol | Vic-o-Xylenol | o-3-Xylenol | Phenol, dimethyl- | 3-Hydroxyl-o-xylene | 2,3-Dimethyl phenol | NSC 62011 | RLF9YS3586 | CHEMBL1490403 | DTXSID602
Specifications & Purity
analytical standard
Storage Temp
Protected from light
Shipped In
Normal
Grade
analytical standard
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Cresols
Intermediate Tree Nodes
Not available
Direct Parent
Ortho cresols
Alternative Parents
o-Xylenes Meta cresols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-xylene - Xylene - O-cresol - M-cresol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - 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 ortho cresols. These are organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, respectively.
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2,3-dimethylphenol
INCHI
InChI=1S/C8H10O/c1-6-4-3-5-8(9)7(6)2/h3-5,9H,1-2H3
InChIKey
QWBBPBRQALCEIZ-UHFFFAOYSA-N
Smiles
CC1=C(C(=CC=C1)O)C
Isomeric SMILES
CC1=C(C(=CC=C1)O)C
WGK Germany
3
RTECS
ZE5500000
UN Number
2261
Packing Group
II
Molecular Weight
122.16
Beilstein
1906267
Reaxy-Rn
1906267
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1906267&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Light sensitive.
Refractive Index
1.542
Flash Point(°F)
95℃
Flash Point(°C)
95℃
Boil Point(°C)
218°C
Melt Point(°C)
75°C
Molecular Weight
122.160 g/mol
XLogP3
2.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
122.073 Da
Monoisotopic Mass
122.073 Da
Topological Polar Surface Area
20.200 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
90.600
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.
Xiaomin Shuai, Zhiqiang Cai, Yujie Chen, Xinyu Zhao, Qianqian Song, Kaixin Ren, Xingxing Jiang, Tao Sun, Shaoqiang Hu.
(2020)
Separation performance of p-nitro-octadecyloxy-calix[8]arene as stationary phases for capillary gas chromatography. MICROCHEMICAL JOURNAL,
157
(105124).
2.
Youan Ji, Yucui Hou, Shuhang Ren, Congfei Yao, Weize Wu.
(2019)
Separation of phenolic compounds from oil mixtures using environmentally benign biological reagents based on Brønsted acid-Lewis base interaction. FUEL,
239
(926).
3.
Xiaohong Yang, Changxia Li, Meiling Qi, Liangti Qu.
(2016)
Graphene-ZIF8 composite material as stationary phase for high-resolution gas chromatographic separations of aliphatic and aromatic isomers. JOURNAL OF CHROMATOGRAPHY A,
1460
(173).
4.
Wujie Guo, Yucui Hou, Shuhang Ren, Shidong Tian, Weize Wu.
(2013)
Formation of Deep Eutectic Solvents by Phenols and Choline Chloride and Their Physical Properties. JOURNAL OF CHEMICAL AND ENGINEERING DATA,
58
(4):
(866–872).
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4 Citations
C2324578