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Tergitol® TMN 3 - 90% active ingredients basis, high purity , CAS No.60828-78-6
Basic Description
Synonyms
2-(2,6,8-Trimethyl-4-nonyloxy)ethanol | Ethyleneglycolmono-2,6,8-trimethyl-4-nonyl ether | 2-(2,6,8-trimethylnonan-4-yloxy)ethanol | DTXSID00873978 | BRN 1851894 | ETHANOL, 2-((1-ISOBUTYL-3,5-DIMETHYLHEXYL)OXY)- | Ethanol, 2-((3,5-dimethyl-1-(2-methylprop
Specifications & Purity
≥90% active ingredients basis
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Ethers
Intermediate Tree Nodes
Not available
Direct Parent
Dialkyl ethers
Alternative Parents
Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Dialkyl ether - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
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
IUPAC Name
2-(2,6,8-trimethylnonan-4-yloxy)ethanol
INCHI
InChI=1S/C14H30O2/c1-11(2)8-13(5)10-14(9-12(3)4)16-7-6-15/h11-15H,6-10H2,1-5H3
InChIKey
VKKFWRYCMZBXIG-UHFFFAOYSA-N
Smiles
CC(C)CC(C)CC(CC(C)C)OCCO
Isomeric SMILES
CC(C)CC(C)CC(CC(C)C)OCCO
WGK Germany
2
RTECS
MD0907900
PubChem CID
24982
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°C)
130°C
Molecular Weight
230.390 g/mol
XLogP3
4.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
9
Exact Mass
230.225 Da
Monoisotopic Mass
230.225 Da
Topological Polar Surface Area
29.500 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
155.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
2
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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J1512037