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3,5-Dihydroxytoluene Anhydrous - 10mM in DMSO, high purity , CAS No.504-15-4
Basic Description
Synonyms
Orcinol | 3,5-Dihydroxytoluene | 504-15-4 | 5-methylbenzene-1,3-diol | 5-METHYLRESORCINOL | 1,3-Dihydroxy-5-methylbenzene | Orcin | 5-Methyl-1,3-benzenediol | 5-Methylresorcin | 1,3-Benzenediol, 5-methyl- | 3-Hydroxy-5-methylphenol | 3,5-Toluenediol | Resorcinol, 5-methyl- | Orcin
Specifications & Purity
10mM in DMSO
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Orcinol is a useful phenol for proteomics research.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Benzenediols
Intermediate Tree Nodes
Not available
Direct Parent
Resorcinols
Alternative Parents
Meta cresols Toluenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Resorcinol - M-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
a phenol
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
5-methylbenzene-1,3-diol
INCHI
InChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3
InChIKey
OIPPWFOQEKKFEE-UHFFFAOYSA-N
Smiles
CC1=CC(=CC(=C1)O)O
Isomeric SMILES
CC1=CC(=CC(=C1)O)O
WGK Germany
3
RTECS
VH2100000
UN Number
2811
Molecular Weight
124.14
Beilstein
6882
Reaxy-Rn
1071903
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1071903&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Light,Air,Moisture Sensitive
Flash Point(°F)
318.2℉
Flash Point(°C)
159℃
Boil Point(°C)
290°C
Melt Point(°C)
107°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.
Feifei Liang, Xiaofang Tan, Shuaishuai Hao, Wenwen Liu, Chenxin Duan, Guisen Zhang, Tao Zhuang, Yin Chen, Chao Hao.
(2022)
Synthesis and structural characterization of two novel olanzapine cocrystals with decreased or enhanced dissolution rate. JOURNAL OF MOLECULAR STRUCTURE,
1255
(132340).
2.
Zhu Longxiang, Feng Zhaoxue, Wang Dafeng, Wu Jiamin, Qiu Jianhui, Zhu Ping.
(2021)
Highly-efficient isolation of cellulose microfiber from rice straw via gentle low-temperature phase transition. CELLULOSE,
28
(11):
(7021-7031).
3.
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).
4.
Zuzhi Zhao, Fengwei Zhang, Zipin Zhang.
(2018)
A facile fluorescent “turn-off” method for sensing paraquat based on pyranine-paraquat interaction. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,
199
(96).
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4 Citations