Isostearyl Hydroxystearate
Basic information
- CAS
162888-05-3- Standard SMILES
CCCCCCC(O)CCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C- InChIKey
MZHRZGNAWRBAAD-UHFFFAOYSA-N- Molecular formula
- C36H72O3
- Average molar mass
- 553 g/mol
- Monoisotopic mass
- 552.54814615
Overview
The CIR Expert Panel concluded that the alkyl esters, listed subsequently, are safe in the present practices of use and concentration described in this safety assessment when formulated to be non-irritating.
Names & identifiers
- Preferred name
- Isostearyl Hydroxystearate
- IUPAC
- 16-methylheptadecyl 12-hydroxyoctadecanoate
- English name
- ISOSTEARYL HYDROXYSTEARATE
- Molecular formula
- C36H72O3
- Molecular weight
- 552.96
Names & synonyms
Isostearyl hydroxystearatePelemol ISHSEthox ISHSSchercemol SHS ester162888-05-3UNII-F7540880P0F7540880P0Octadecanoic acid, 12-hydroxy-, 16-methylheptadecyl esterRefChem:149993ISOSTEARYL HYDROXYSTEARATE [INCI]16-METHYLHEPTADECYL 12-HYDROXYOCTADECANOATESCHEMBL6238453
Show more names
DTXSID40936758MZHRZGNAWRBAAD-UHFFFAOYSA-NQ27277750
Database identifiers
- CAS
162888-05-3- PubChem CID
- 19821415
- DTXSID
DTXSID40936758- UNII
- F7540880P0
Properties
Computed structural properties
- XLogP
- 15.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 33
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 476
Experimental & physicochemical properties
CosmeticsCosmetic ingredients (Isostearyl Hydroxystearate) -> CIR (Cosmetic Ingredient Review)
Physicochemical properties
- Boiling point
- 607.3 · 607.3±28.0 °C(Predicted)
- Density
- 0.885 · 0.885±0.06 g/cm3(Predicted)
- pka
- 15.4 · 15.40±0.20(Predicted)
- Cosmetics Ingredients Functions
- SKIN CONDITIONING - EMOLLIENT
- Cosmetic Ingredient Review (CIR)
- ISOSTEARYL HYDROXYSTEARATE (162888-05-3)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 7540880 P0 · F7540880P0
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Octadecanoic acid, 12-hydroxy-, 16-methylheptadecyl ester
Toxicology
Toxicity Summary
The CIR Expert Panel concluded that the alkyl esters, listed subsequently, are safe in the present practices of use and concentration described in this safety assessment when formulated to be non-irritating.
Safe for use in cosmetics, with qualifications
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Isostearyl Hydroxystearate
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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