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Ethylene glycol monophenyl ether - standard for GC,≥99.5%(GC), high purity , CAS No.122-99-6
Basic Description
Synonyms
DTXSID9021976 | Ethylene glycol phenyl ether | ethyleneglycol monophenyl ether | NSC1864NSC 1864 | Phenyl cellosolve | Phenylmonoglycol ether | STK802556 | CAS-122-99-6 | MFCD00002857 | PHENOXYETHANOL (II) | Plastiazan-41 | Fungal Terminator (veterinary)
Specifications & Purity
Standard for GC, ≥99.5%(GC)
Shipped In
Normal
Grade
Standard for GC
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenol ethers
Alternative Parents
Phenoxy compounds Alkyl aryl ethers Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
External Descriptors
aromatic ether - primary alcohol - hydroxyether
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-phenoxyethanol
INCHI
InChI=1S/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey
QCDWFXQBSFUVSP-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)OCCO
Isomeric SMILES
C1=CC=C(C=C1)OCCO
WGK Germany
1
RTECS
KM0350000
Molecular Weight
138.16
Beilstein
1364011
Reaxy-Rn
1364011
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1364011&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.536-1.54
Flash Point(°F)
266 ℉
Flash Point(°C)
130°C
Boil Point(°C)
237°C
Melt Point(°C)
11-13°C
Molecular Weight
138.160 g/mol
XLogP3
1.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
138.068 Da
Monoisotopic Mass
138.068 Da
Topological Polar Surface Area
29.500 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
77.300
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.
Zi-Chen Jia, Duo Liu, Hai-Di Ma, Yu-Hui Cui, Hui-Min Li, Xia Li, Ying-Jin Yuan.
(2023)
Yeast Metabolic Engineering for Biosynthesis of Caffeic Acid-Derived Phenethyl Ester and Phenethyl Amide. ACS Synthetic Biology,
2.
Zhihong Deng, Lifeng Zhao, Xiuxue Li, Chang-Yun Wang, Yue Zhou, Mengfei Li, Yingfei Li, Xianjun Fu.
(2023)
Folium crataegi boosts skin regeneration for burn injury in rats through multiple ways. BIOMEDICINE & PHARMACOTHERAPY,
167
(115457).
3.
Youyou Yang, Jing Li, Jiangtao Xing, Weihai Xing, Chaohua Tang, Zhenghua Rao, Junmin Zhang.
(2022)
Untargeted Profiling and Differentiation of Volatiles in Varieties of Meat Using GC Orbitrap MS. Foods,
11
(24):
(3997).
4.
Wan-Jun Long, Hai-Long Wu, Tong Wang, Ming-Yue Dong, Ru-Qin Yu.
(2021)
Interference-free analysis of multi-class preservatives in cosmetic products using alternating trilinear decomposition modeling of liquid chromatography diode array detection data. MICROCHEMICAL JOURNAL,
162
(105847).
5.
Xiao-Li Yin, Hui-Wen Gu, Ali R. Jalalvand, Ya-Juan Liu, Ying Chen, Tian-Qin Peng.
(2018)
Dealing with overlapped and unaligned chromatographic peaks by second-order multivariate calibration for complex sample analysis: Fast and green quantification of eight selected preservatives in facial masks. JOURNAL OF CHROMATOGRAPHY A,
1573
(18).
6.
Shuyao Huang, Jianqiao Xu, Jiayi Wu, Haojia Hong, Guosheng Chen, Ruifen Jiang, Fang Zhu, Yuan Liu, Gangfeng Ouyang.
(2017)
Rapid detection of five anesthetics in tilapias by in vivo solid phase microextraction coupling with gas chromatography-mass spectrometry. TALANTA,
168
(263).
7.
Jinjie Zhang, Jinlu Huang, Shanzhen Chen, Jing Tan, Xingyi Zhu, Yanqi Gao, Hui Zeng, Yong-An Zhang, Yang Zhou.
(2024)
Development and evaluation of the inactivated vaccine against Aeromonas schubertii in hybrid snakehead. AQUACULTURE,
590
(741087).
8.
Min Ouyang, Jiachang Wu, Xiongjian Huang, Guoping Dong.
(2024)
Enhanced rare-earth ion doping in silica glass by photopolymerization for microlaser. JOURNAL OF LUMINESCENCE,
273
(120704).
9.
Han Kyoung-Moon, Woo In Suk, Park Chae Gyeong, Kim You Kyung, Yang Yoon Ji, Park Bo Reum, Choi Jang Duck, Son Kyung Hun.
(2024)
Simultaneous Analytical Method for Various Paraben and Alcohol Preservatives in Supposedly Natural and Organic Cosmetics by Off-line SPE–UHPLC–DAD and LC–MS/MS. CHROMATOGRAPHIA,
(1-13).
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9 Citations
D2318882