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Poly(ethylene glycol) dioleate - average Mₙ ~914, high purity , CAS No.9005-07-6
Basic Description
Synonyms
UNII-8OD7I9D4BZ | UNII-U47OPR8H97 | UNII-CMP2G8S7AM | Ethylene glycol dioleate | 3-Cyclohexen-1-ol, 1-methyl-4-(1-methyethyl)- | EINECS 213-170-8 | NCGC00248567-01 | O05H945W9X | SCHEMBL285023 | PEG-4 Dioleate | SCHEMBL85551 | 2-((Z)-OCTADEC-9-ENOYL)OXYET
Specifications & Purity
average Mₙ ~914
Product Description
Description
Plasticizer
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty acid esters
Intermediate Tree Nodes
Not available
Direct Parent
Fatty acid esters
Alternative Parents
Dicarboxylic acids and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Fatty acid ester - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
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
504763802
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504763802
IUPAC Name
2-[(Z)-octadec-9-enoyl]oxyethyl (Z)-octadec-9-enoate
INCHI
InChI=1S/C38H70O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(39)41-35-36-42-38(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-36H2,1-2H3/b19-17-,20-18-
InChIKey
NKSOSPOXQKNIKJ-CLFAGFIQSA-N
Smiles
CCCCCCCCC=CCCCCCCCC(=O)OCCOC(=O)CCCCCCCC=CCCCCCCCC
Isomeric SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCCOC(=O)CCCCCCC/C=C\CCCCCCCC
PubChem CID
5378708
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
toluene, ethanol and ; acetone: soluble (dispersible in water)
Flash Point(°C)
299.3℃
Boil Point(°C)
633.6℃at 760 mmHg
Melt Point(°C)
−15 °C
Molecular Weight
591.000 g/mol
XLogP3
15.000
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
35
Exact Mass
590.527 Da
Monoisotopic Mass
590.527 Da
Topological Polar Surface Area
52.600 Ų
Heavy Atom Count
42
Formal Charge
0
Complexity
571.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
2
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
2
Covalently-Bonded Unit Count
1
Citations of This Product
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1 Citations
J2312299