HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 178651663Generated: October 30, 2026
Isooctadecanoic acid, monoester with 1,2-propanediol
Einecs 269-027-5 · 2-hydroxypropyl 16-methylheptadecanoate · Isooctadecansure, Monoester mit Propan-1,2-diol · Isooctadecanoic acid, monoester with 1,2-propanediol · isooctadecanoic acid, monoester with propane-1,2-diol
https://huagongshe.com/en/chemical/178651663
Identifiers & Physical Properties
| CAS No. | 1366396-43-1 |
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| Molecular formula | C21H42O3 |
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| Average molar mass | 342.6 g/mol |
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| Monoisotopic mass | 342.3133952 g/mol |
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| SMILES | CC(C)CCCCCCCCCCCCCCC(=O)OCC(C)O |
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| InChIKey | BJRXGOFKVBOFCO-UHFFFAOYSA-N |
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| PubChem CID | 109682 |
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| EC No. | 269-027-5 |
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Chemical & Physical Properties
| XLogP | 8 |
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| Topological polar surface area | 46.5 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 18 |
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| Heavy atoms | 24 |
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| Formal charge | 0 |
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| Complexity | 276 |
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| Cosmetics | Cosmetic ingredients (Propylene Glycol Isostearate) -> CIR (Cosmetic Ingredient Review)OpacifyingEmollientPearlescentEmulsifying |
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| Density | 0.91[at 20℃] |
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| Odor | at 100.00%. mild waxy |
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| Cosmetics Ingredients Functions | SKIN CONDITIONINGSURFACTANT - CLEANSING |
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| LogP (partition coefficient) | 7.826 (est) |
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| EPA Substance Registry System | Propylene glycol monoisostearate (68171-38-0) |
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| TSCA inventory status | TSCA listed |
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| REACH registrations | Active |
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Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 100% (124 of 124) of all reports.Not ClassifiedAggregated GHS information provided per 124 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Regulatory information | Chemical: Isooctadecanoic acid, monoester with 1,2-propanediolIsooctadecanoic acid, monoester with 1,2-propanediol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Isooctadecanoic acid, monoester with 1,2-propanediol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)REACH registered substance: Isooctadecanoic acid, monoester with propane-1,2-diol (EC: 269-027-5)Isooctadecanoic acid, monoester with 1,2-propanediol: Does not have an individual approval but may be used under an appropriate group standard |
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| Other safety information | IMAP assessments - Isooctadecanoic acid, monoester with 1,2-propanediol: Human health tier I assessment |
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| Hazard Classes and Categories | Not Classified |
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| Toxicity summary | The CIR Expert Panel concluded that the following ingredients are safe in the present practices of use and concentration described in this safety assessment in cosmetics when formulated to be non-irritating...Propylene Glycol Isostearate...Safe for use in cosmetics, with qualifications |
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| TSCA inventory status | TSCA listed |
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| REACH registrations | Active |
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