Isopropyl Linoleate
PubChem CID
5352860
Structure
Molecular Formula
Synonyms
- Isopropyl linoleate
- 22882-95-7
- Ceraphyl IPL
- Isopropyl linolate
- Linoleic acid, isopropyl ester
Molecular Weight
322.5 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-27
- Modify:2025-01-18
Chemical Structure Depiction
Conformer generation is disallowed since too flexible
propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C21H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h8-9,11-12,20H,4-7,10,13-19H2,1-3H3/b9-8-,12-11-
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
XEIOPEQGDSYOIH-MURFETPASA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(C)C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C21H38O2
Computed by PubChem 2.2 (PubChem release 2021.10.14)
22882-95-7
- Isopropyl linoleate
- 22882-95-7
- Ceraphyl IPL
- Isopropyl linolate
- Linoleic acid, isopropyl ester
- Linoleic Acid Isopropyl Ester
- 1-Methylethyl-9,12-octadecadienoate
- 9,12-Octadecadienoic acid (Z,Z)-, 1-methylethyl ester
- UNII-4MW1E9AT4H
- EINECS 245-289-6
- 4MW1E9AT4H
- BRN 1880297
- NIKKOL VF-IP
- 9,12-Octadecadienoic acid, 1-methylethyl ester
- AEC ISOPROPYL LINOLEATE
- 9,12-Octadecadienoic acid (9Z,12Z)-, 1-methylethyl ester
- 9,12-OCTADECADIENOIC ACID (9Z,12Z)-, 1-METHYLETHYL ESTER 9,12-OCTADECADIENOIC ACID (9Z,12Z)-, 1-METHYLETHYL ESTER
- ISOPROPYLLINOLEATE
- Isopropyl (9Z,12Z)-octadeca-9,12-dienoate
- propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate
- SCHEMBL43113
- ISOPROPYL LINOLEATE [INCI]
- XAA88295
- MFCD00053809
- HY-W127420
- CS-0185654
- Isopropyl 9,12-octadecadienoate, AldrichCPR
- L0139
- NS00013787
- Isopropyl (9Z,12Z)-9,12-octadecadienoate #
- Q27260149
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
322.5 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
7.7
Reference
Computed by XLogP3 3.0 (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
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
16
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
322.287180451 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
322.287180451 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
26.3 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
23
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
316
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
2
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)
Cosmetic ingredients (Isopropyl Linoleate) -> CIR (Cosmetic Ingredient Review)
Skin conditioning; Emollient; Binding
S13 | EUCOSMETICS | Combined Inventory of Ingredients Employed in Cosmetic Products (2000) and Revised Inventory (2006) | DOI:10.5281/zenodo.2624118
NIST Number
133450
Library
Main library
Total Peaks
150
m/z Top Peak
67
m/z 2nd Highest
43
m/z 3rd Highest
41
Thumbnail
NIST Number
336798
Library
Replicate library
Total Peaks
166
m/z Top Peak
67
m/z 2nd Highest
55
m/z 3rd Highest
81
Thumbnail
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)
Cosmetic Ingredient Review Link
CIR ingredient: Isopropyl Linoleate
Cosmetics -> Skin conditioning; Emollient; Binding
S13 | EUCOSMETICS | Combined Inventory of Ingredients Employed in Cosmetic Products (2000) and Revised Inventory (2006) | DOI:10.5281/zenodo.2624118
EPA TSCA Commercial Activity Status
9,12-Octadecadienoic acid (9Z,12Z)-, 1-methylethyl ester: INACTIVE
The Australian Inventory of Industrial Chemicals
Chemical: 9,12-Octadecadienoic acid, (Z,Z)-, 1-methylethyl ester
New Zealand EPA Inventory of Chemical Status
9,12-Octadecadienoic acid (9Z,12Z)-, 1-methylethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Chemical Assessment
Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=XEIOPEQGDSYOIH-MURFETPASA-N
- Australian Industrial Chemicals Introduction Scheme (AICIS)9,12-Octadecadienoic acid, (Z,Z)-, 1-methylethyl esterhttps://services.industrialchemicals.gov.au/search-assessments/9,12-Octadecadienoic acid, (Z,Z)-, 1-methylethyl esterhttps://services.industrialchemicals.gov.au/search-inventory/
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/Isopropyl linoleatehttps://commonchemistry.cas.org/detail?cas_rn=22882-95-7
- ChemIDplusIsopropyl linoleatehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0022882957ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA Chemicals under the TSCA9,12-Octadecadienoic acid (9Z,12Z)-, 1-methylethyl esterhttps://www.epa.gov/chemicals-under-tscaEPA TSCA Classificationhttps://www.epa.gov/tsca-inventory
- 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-noticeIsopropyl (9Z,12Z)-octadeca-9,12-dienoatehttps://echa.europa.eu/substance-information/-/substanceinfo/100.041.157
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linkingISOPROPYL LINOLEATEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/4MW1E9AT4H
- New Zealand Environmental Protection Authority (EPA)LICENSEThis work is licensed under the Creative Commons Attribution-ShareAlike 4.0 International licence.https://www.epa.govt.nz/about-this-site/general-copyright-statement/9,12-Octadecadienoic acid (9Z,12Z)-, 1-methylethyl esterhttps://www.epa.govt.nz/industry-areas/hazardous-substances/guidance-for-importers-and-manufacturers/hazardous-substances-databases/
- Cosmetic Ingredient Review (CIR)
- 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/
- Japan Chemical Substance Dictionary (Nikkaji)
- Natural Product Activity and Species Source (NPASS)
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-lawIsopropyl linoleatehttp://www.nist.gov/srd/nist1a.cfm
- SpectraBaselinoleic acid, isopropyl esterhttps://spectrabase.com/spectrum/2UTxmJ1SsZuLINOLEIC ACID, ISOPROPYL ESTERhttps://spectrabase.com/spectrum/FzuCHyJ2SuVLINOLEIC ACID, ISOPROPYL ESTERhttps://spectrabase.com/spectrum/BKOItHhReqe
- Springer Nature
- Wikidataisopropyl linoleatehttps://www.wikidata.org/wiki/Q27260149
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 403387727https://pubchem.ncbi.nlm.nih.gov/substance/403387727
CONTENTS