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Poly(ethylene glycol)monooleate - PEG400MO, high purity , CAS No.9004-96-0
Basic Description
Synonyms
2-Hydroxyethyl oleate | Glycol oleate | 4500-01-0 | Ethylene glycol monooleate | 2-hydroxyethyl (Z)-octadec-9-enoate | 9-Octadecenoic acid (Z)-, 2-hydroxyethyl ester | Glycol monooleate | Oleic acid, 2-hydroxyethyl ester | 9-Octadecenoic acid (9Z)-, 2-hydroxyethyl ester |
Specifications & Purity
PEG400MO
Storage Temp
Room temperature
Shipped In
Normal
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
Carboxylic acid esters Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Fatty acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - 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
IUPAC Name
2-hydroxyethyl (Z)-octadec-9-enoate
INCHI
InChI=1S/C20H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h9-10,21H,2-8,11-19H2,1H3/b10-9-
InChIKey
MUHFRORXWCGZGE-KTKRTIGZSA-N
Smiles
CCCCCCCCC=CCCCCCCCC(=O)OCCO
Isomeric SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCCO
PubChem CID
5364420
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
toluene, ethanol and acetone: soluble (dispersible in water)
Molecular Weight
326.500 g/mol
XLogP3
6.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
18
Exact Mass
326.282 Da
Monoisotopic Mass
326.282 Da
Topological Polar Surface Area
46.500 Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
274.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
1
Covalently-Bonded Unit Count
1
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J2126075