Emulphor
PubChem CID
5364713
Structure
Molecular Formula
Synonyms
- Emulphor
- 5353-25-3
- 2-[(Z)-octadec-9-enoxy]ethanol
- 2-[(Z)-9-Octadecenyloxy]ethanol
- BRIJ 98
Molecular Weight
312.5 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-27
- Modify:2024-12-28
Chemical Structure Depiction
Conformer generation is disallowed since too flexible
2-[(Z)-octadec-9-enoxy]ethanol
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h9-10,21H,2-8,11-20H2,1H3/b10-9-
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
KWVPFECTOKLOBL-KTKRTIGZSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CCCCCCCC/C=C\CCCCCCCCOCCO
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)
C20H40O2
Computed by PubChem 2.2 (PubChem release 2021.10.14)
5353-25-3
- Brij 92
- Brij 96
- Brij 97
- Brij 98
- Brij 99
- EL620
- emulgin RO-40
- Emulphor
- PEG 20 oleyl ether
- polyethylene glycol oleyl ether
- polyoxyethylated vegetable oil
- Volpo 20
- Emulphor
- 5353-25-3
- 2-[(Z)-octadec-9-enoxy]ethanol
- 2-[(Z)-9-Octadecenyloxy]ethanol
- BRIJ 98
- (Z)-2-(OCTADEC-9-EN-1-YLOXY)ETHAN-1-OL
- Emulphor ON-870
- BRIJ 92
- EL-620
- 2-(9-OCTADECENYLOXY)ETHANOL (Z)
- Ethanol, 2-(9-octadecenyloxy)-, (Z)-
- DSSTox_CID_7714
- BRIJ97
- DSSTox_RID_78547
- DSSTox_GSID_27714
- 2-cis-9-Octadecenyloxyethanol
- SCHEMBL285467
- QSPL 139
- CHEMBL3183983
- DTXSID30858839
- Tox21_200128
- 2-[(9Z)-9-Octadecenyloxy]ethanol #
- 2-[(Z)-9-octadecen-1-yl)oxyethanol
- 2-[(9Z)-9-Octadecen-1-yloxy]ethanol
- Ethanol, 2-(9-octadecenyloxy)-,(Z)-
- NCGC00248533-01
- NCGC00257682-01
- AS-83051
- CAS-9004-98-2
- NS00013099
- F88027
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
312.5 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
7.3
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
18
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
312.302830514 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
312.302830514 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
29.5Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
22
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
214
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
PubMed Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=KWVPFECTOKLOBL-KTKRTIGZSA-N
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- ChemIDplus2-(9-Octadecenyloxy)ethanol (Z)https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0005353253ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSTox2-[(9Z)-9-Octadecen-1-yloxy]ethanolhttps://comptox.epa.gov/dashboard/DTXSID30858839CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Comparative Toxicogenomics Database (CTD)LICENSEIt is to be used only for research and educational purposes. Any reproduction or use for commercial purpose is prohibited without the prior express written permission of NC State University.http://ctdbase.org/about/legal.jsppolyethylene glycol oleyl etherhttps://ctdbase.org/detail.go?type=chem&acc=C033084
- Japan Chemical Substance Dictionary (Nikkaji)
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-lawEthanol, 2-(9-octadecenyloxy)-, (Z)-http://www.nist.gov/srd/nist1a.cfm
- SpectraBaseEthanol, 2-(9-octadecenyloxy)-, (Z)-https://spectrabase.com/spectrum/DkjwNFfhsOz
- Springer Nature
- Wikidata2-[(9Z)-9-Octadecen-1-yloxy]ethanolhttps://www.wikidata.org/wiki/Q81977840
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmlpolyethylene glycol oleyl etherhttps://www.ncbi.nlm.nih.gov/mesh/67033084
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 403430620https://pubchem.ncbi.nlm.nih.gov/substance/403430620
CONTENTS