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3-Methoxyphenol - 97%, high purity , CAS No.150-19-6
Basic Description
Synonyms
A809020 | EINECS 205-754-6 | MFCD00002267 | W-108077 | m-Guaiacol | 3-(methyloxy)phenol | CAS-150-19-6 | Resorcinol methyl ether | BDBM36297 | 1-Hydroxy-3-methoxybenzene | SCHEMBL28256 | 3-Methoxyphenol, analytical standard | FT-0616005 | ORISTAR HOA | Ph
Specifications & Purity
≥97%
Storage Temp
Argon charged
Shipped In
Normal
Product Description
It was used in synthesis of:C(4) symmetric calix[4]resorcinarene;2-nitroso-5-methoxyphenol;6-methoxy-2(3H)-benzoxazolone.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Methoxyphenols
Intermediate Tree Nodes
Not available
Direct Parent
Methoxyphenols
Alternative Parents
Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Methoxyphenol - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
External Descriptors
phenols - monomethoxybenzene
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
Pubchem Sid
488180920
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488180920
IUPAC Name
3-methoxyphenol
INCHI
InChI=1S/C7H8O2/c1-9-7-4-2-3-6(8)5-7/h2-5,8H,1H3
InChIKey
ASHGTJPOSUFTGB-UHFFFAOYSA-N
Smiles
COC1=CC=CC(=C1)O
Isomeric SMILES
COC1=CC=CC(=C1)O
WGK Germany
3
RTECS
SL7524000
UN Number
2810
Molecular Weight
124.14
Beilstein
1209898
Reaxy-Rn
1209898
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1209898&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Solubility in water: Slightly soluble
Sensitivity
air sensitive
Refractive Index
1.551-1.553
Flash Point(°F)
233.6 °F
Flash Point(°C)
114°C
Boil Point(°C)
244°C
Melt Point(°C)
-17°C
Molecular Weight
124.140 g/mol
XLogP3
1.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
124.052 Da
Monoisotopic Mass
124.052 Da
Topological Polar Surface Area
29.500 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
83.000
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.
Haoquan Guo, Xinyu Lu, Yue Yang, Jinhe Wei, Lizhi Wu, Li Tan, Yu Tang, Xiaoli Gu.
(2023)
Harvesting alkyl phenols from lignin monomers via selective hydrodeoxygenation under ambient pressure on Pd/α-MoC catalysts.
Molecular Catalysis,
540
(113041).
2.
Baoyu Wang, Peng Zhou, Ximing Yan, Hu Li, Hongguo Wu, Zehui Zhang.
(2023)
Cooperative catalysis of Co single atoms and nanoparticles enables selective CAr−OCH3 cleavage for sustainable production of lignin-based cyclohexanols.
Journal of Energy Chemistry,
79
(535).
3.
Sui-Qin Yang, Zheng-Qian Liu, Yu-Hong Cui, Ming-Kui Wang.
(2023)
Organics abatement and recovery from wastewater by a polymerization-based electrochemically assisted persulfate process: Promotion effect of chloride ion and its mechanism.
JOURNAL OF HAZARDOUS MATERIALS,
446
(130658).
4.
Fei Zhang, Chunzheng Wu, Shuibo Wang, Shiwei Wang, Tong Li, Laixi Zou, Hongbo Yu, Hongfeng Yin.
(2022)
Tailoring the activity and selectivity of Rh/SiO2 for the selective hydrogenation of phenol by CoOx promotion.
Catalysis Science & Technology,
12
(7):
(2257-2264).
5.
Xiaojiang Li, Leitao Sun, Xin Lv, Jie Qi, Hongsheng Lu, Yuanpeng Wu, Baogang wang.
(2021)
Sustainable separation of petroleum hydrocarbons pollutant using hydrophobic deep eutectic solvents regulated by CO2.
Journal of Environmental Chemical Engineering,
9
(106280).
6.
Xiaohao Liu, Wenda Jia, Guangyue Xu, Ying Zhang, Yao Fu.
(2017)
Selective Hydrodeoxygenation of Lignin-Derived Phenols to Cyclohexanols over Co-Based Catalysts.
ACS Sustainable Chemistry & Engineering,
5
(10):
(8594–8601).
7.
Yue Zhang, Zhiyong Li, Huiyong Wang, Xiaopeng Xuan, Jianji Wang.
(2016)
Efficient separation of phenolic compounds from model oil by the formation of choline derivative-based deep eutectic solvents.
SEPARATION AND PURIFICATION TECHNOLOGY,
163
(310).
8.
Guangfan Han, Jiawei Du, Lizhuang Chen, Lijun Zhao.
(2014)
Synthesis and Characterization of 11-Amino-3-methoxy-8-substituted-12-aryl-8,9-dihydro-7H-chromeno[2,3-b]quinolin-10(12H)-one Derivatives.
JOURNAL OF HETEROCYCLIC CHEMISTRY,
51
(4):
(1094-1099).
9.
Qishu Qu,Han Xuan,Kehua Zhang,Yi Ding,Qin Xu.
(2016-05-14)
Layer-by-layer assembly of zeolite imidazolate framework-8 as coating material for capillary electrochromatography..
Electrophoresis,
37
((15-16)):
(2175-2180).
10.
Zihang Shen, Zheyu Dong, Jiabao Bai, Daochen Yin, Zhi Sheng, Yijie Cai, Zheng Jia.
(2025)
Protocol for the fabrication and application of a low-water-content polyelectrolyte hydrogel.
STAR Protocols,
6
(103713).
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