Sulfuric acid, monooctyl ester, magnesium salt
PubChem CID
171847
Structure
Molecular Formula
Synonyms
- 67633-86-7
- Sulfuric acid, monooctyl ester, magnesium salt
- Magnesium octyl sulfate
- Octyl hydrogen sulphate, magnesium salt
- EINECS 266-786-4
Molecular Weight
442.9 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Parent Compound
Component Compounds
Dates
- Create:2005-08-09
- Modify:2025-01-18
Chemical Structure Depiction
3D Conformer of Parent
magnesium;octyl sulfate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/2C8H18O4S.Mg/c2*1-2-3-4-5-6-7-8-12-13(9,10)11;/h2*2-8H2,1H3,(H,9,10,11);/q;;+2/p-2
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
QJAKHFOENYXAQI-UHFFFAOYSA-L
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CCCCCCCCOS(=O)(=O)[O-].CCCCCCCCOS(=O)(=O)[O-].[Mg+2]
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C16H34MgO8S2
Computed by PubChem 2.2 (PubChem release 2021.10.14)
67633-86-7
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
442.9 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
8
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
14
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
442.1545521 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
442.1545521 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
150 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
27
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
179
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
0
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
3
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 Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
EPA TSCA Commercial Activity Status
Sulfuric acid, monooctyl ester, magnesium salt (2:1): ACTIVE
- ChemIDplusSulfuric acid, monooctyl ester, magnesium salt (2:1)https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0067633867ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA Chemicals under the TSCASulfuric acid, monooctyl ester, magnesium salt (2:1)https://www.epa.gov/chemicals-under-tscaEPA TSCA Classificationhttps://www.epa.gov/tsca-inventory
- EPA DSSToxMagnesium bis(octyl sulfate)https://comptox.epa.gov/dashboard/DTXSID00987004CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-noticeOctyl hydrogen sulphate, magnesium salthttps://echa.europa.eu/substance-information/-/substanceinfo/100.060.697
- Japan Chemical Substance Dictionary (Nikkaji)
- WikidataMagnesium bis(octyl sulfate)https://www.wikidata.org/wiki/Q82975133
- PubChem
- 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/
- EPA Substance Registry ServicesEPA SRS List Classificationhttps://sor.epa.gov/sor_internet/registry/substreg/LandingPage.do
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
CONTENTS