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Ethylene glycol monophenyl ether - 98%, 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
≥98%
Shipped In
Normal
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
Pubchem Sid
488183142
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488183142
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
Solubility
Slightly soluble in water; Degree of Solubility in water: 27 g/l; Very soluble in Ether,Solution of sodium hydroxide in water,Alcohol
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
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