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2-Ethyl-p-xylene - 98%, high purity , CAS No.1758-88-9
Basic Description
Synonyms
1,4-Dimethyl-2-ethyl benzene | 2,5-Dimethylethylbenzene | 1,4-Dimethyl-2-ethylbenzene | 1,4-dimethyl-2-ethyl-benzene | A881547 | 2-Ethyl-p-xylene | NSC74186 | NSC-74186 | AXIUBBVSOWPLDA-UHFFFAOYSA-N | BAA75888 | DTXSID0061951 | 2-ETHYL-1,4-DIMETHYLBENZENE
Specifications & Purity
≥98%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Xylenes
Intermediate Tree Nodes
Not available
Direct Parent
p-Xylenes
Alternative Parents
Aromatic hydrocarbons Unsaturated hydrocarbons
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-xylene - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-xylenes. These are aromatic compounds that contain a p-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 4-positions.
External Descriptors
Not available
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.
Names and Identifiers
Pubchem Sid
504752690
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504752690
IUPAC Name
2-ethyl-1,4-dimethylbenzene
INCHI
InChI=1S/C10H14/c1-4-10-7-8(2)5-6-9(10)3/h5-7H,4H2,1-3H3
InChIKey
AXIUBBVSOWPLDA-UHFFFAOYSA-N
Smiles
CCC1=C(C=CC(=C1)C)C
Isomeric SMILES
CCC1=C(C=CC(=C1)C)C
UN Number
3295
Packing Group
III
Molecular Weight
134.22
Reaxy-Rn
2039096
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2039096&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.5
Flash Point(°C)
59 °C
Boil Point(°C)
187 °C
Melt Point(°C)
-54 °C
Molecular Weight
134.220 g/mol
XLogP3
3.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
1
Exact Mass
134.11 Da
Monoisotopic Mass
134.11 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
96.200
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
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G2301347