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2-Allylphenol - >98.0%(GC), high purity , CAS No.1745-81-9
Basic Description
Synonyms
2-allyl phenol | ALPRENOLOL HYDROCHLORIDE IMPURITY B [EP IMPURITY] | DB02534 | Phenol, o-allyl- | 2-(2-propenyl)-pheno | BBL027374 | BRN 0742121 | EINECS 217-119-0 | InChI=1/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H | AS-17714 | 2-prop-2-enylphenol
Specifications & Purity
≥98%(GC)
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
1-hydroxy-4-unsubstituted benzenoids
Intermediate Tree Nodes
Not available
Direct Parent
1-hydroxy-4-unsubstituted benzenoids
Alternative Parents
1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
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 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position.
External Descriptors
phenols
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(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-prop-2-enylphenol
INCHI
InChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H2
InChIKey
QIRNGVVZBINFMX-UHFFFAOYSA-N
Smiles
C=CCC1=CC=CC=C1O
Isomeric SMILES
C=CCC1=CC=CC=C1O
WGK Germany
1
RTECS
SJ3850000
UN Number
1760
Packing Group
III
Molecular Weight
134.18
Beilstein
742121
Reaxy-Rn
742121
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742121&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in water(7 g/L).
Sensitivity
heat sensitive
Refractive Index
1.545
Flash Point(°F)
190.4 °F
Flash Point(°C)
88°C
Boil Point(°C)
220-222°C
Melt Point(°C)
-6°C
Molecular Weight
134.170 g/mol
XLogP3
2.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
2
Exact Mass
134.073 Da
Monoisotopic Mass
134.073 Da
Topological Polar Surface Area
20.200 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
109.000
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.
Yaodong Zhang, Yuewen Huang, Zhijun Liu, Yihao Yang, Bin Wang, Yujie Peng.
(2024)
Facile fabrication of titanium atomic modification polyimide‑silicone coatings via moisture/thermal dual curing for high temperature protection. PROGRESS IN ORGANIC COATINGS,
187
(108138).
2.
Yifang He, Xinyu Cui, Zhishuo Liu, Fujie Lan, Jun Sun, Hongfei Li, Xiaoyu Gu, Sheng Zhang.
(2023)
A new approach to prepare flame retardant epoxy resin with excellent transmittance, mechanical properties, and anti-aging performance by the incorporation of DOPO derivative. POLYMER DEGRADATION AND STABILITY,
218
(110579).
3.
Xing Liu, Zhenhong Xiao, Xianyong Liu, Yuling Liu, Jianqing Zhao, Shumei Liu.
(2023)
Design and synthesis of epoxy prepolymer containing aromatic imide structures for thermoset with excellent thermal, mechanical and dielectric properties. CHEMICAL ENGINEERING SCIENCE,
281
(119149).
4.
Yuan Wang, Yuanbo Cai, Youquan Ling, Haoruo Zhang, Jinfeng Tian, Zhengguang Heng, Shengtai Zhou, Shuang Xia, Mei Liang, Huawei Zou.
(2023)
Improved Mechanical and Ablative Properties of PDMS Coatings Incorporating Epoxy as a Suspended Chain. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,
62
(25):
(9920–9931).
5.
Guoyu Wei, Wei Zhao, Anlong Hu, Mingjian Ren, Yunxiao Huang, Huayang Xu.
(2023)
Identification of a New Pathogenic fungi Causing Sorghum Leaf Spot Disease and Its Management Using Natural Product and Microorganisms. Microorganisms,
11
(6):
(1431).
6.
Muyao Gao, Tianhao Li, Wenjing Kong, Xun Sun, Li Liu, Bing Li, Yujie Song, Ming Liu.
(2023)
Novel liquid phthalonitrile monomers towards high performance resin. EUROPEAN POLYMER JOURNAL,
191
(112027).
7.
Guoyu Wei, Wei Zhao, Huayang Xu, Guangming Wang, Hualei Wang, Anlong Hu.
(2024)
Phytochemicals demonstrate potential fungicidal activity against Fusarium commune, a newly identified pathogenic fungus causing rhizome rot in Polygonatum cyrtonema (giant Chinese Solomon's seal). JOURNAL OF PHYTOPATHOLOGY,
172
(2):
(e13301).
8.
Houchun Yan, Yujie Zhen, Anle Zhang, Tao Li, Wenxue Lu, Qingsong Li.
(2024)
Research on separation of higher-rank phenols from coal tar: A combination of liquid-liquid extraction experiments and mechanism analysis. JOURNAL OF MOLECULAR LIQUIDS,
415
(126366).
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8 Citations
H2113166