Isodecyl Stearate
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Basic information
- CAS
31565-38-5- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC(C)C- InChIKey
BCNMHJYHRSTPJY-UHFFFAOYSA-N- Molecular formula
- C28H56O2
- Average molar mass
- 424.7 g/mol
- Monoisotopic mass
- 424.42803102
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
- Isodecyl Stearate
- IUPAC
- 8-methylnonyl octadecanoate
- English name
- isodecyl stearate
- Molecular formula
- C28H56O2
- Molecular weight
- 424.74304
Names & synonyms
Isodecyl stearate31565-38-5Octadecanoic acid, isodecyl ester2JQ9SQR11VSTEARIC ACID, ISODECYL ESTERRefChem:791849DTXSID0067636ISODECYL STEARATE [INCI]250-704-98-methylnonyl octadecanoateIsodecyl octadecanoateEINECS 250-704-9
Show more names
STEARICACID,ISODECYLESTER
UNII-2JQ9SQR11V8-Methylnonyl stearateSCHEMBL318662BCNMHJYHRSTPJY-UHFFFAOYSA-NDTXSID101010025NS00013777Q27254838859043-15-5
Database identifiers
- CAS
31565-38-5、859043-15-5- PubChem CID
- 94422
- DTXSID
DTXSID101010025- UNII
- 2JQ9SQR11V
- EC Number
- 250-704-9
Properties
Computed structural propertiesFilling in
- XLogP
- 12.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 25
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 338
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Isodecyl Stearate) -> CIR (Cosmetic Ingredient Review)
Emollient; Skin conditioning
Physicochemical properties
- Cosmetics Ingredients Functions
- SKIN CONDITIONINGSKIN CONDITIONING - EMOLLIENT
- Cosmetic Ingredient Review (CIR)
- isodecyl stearate (31565-38-5)
- LogP
- 12.857 · 12.857 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2 JQ9SQR11V · 2JQ9SQR11V
- EPA Substance Registry System
- Isodecyl stearate (31565-38-5)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.
Not Classified
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Octadecanoic acid, isodecyl ester
Octadecanoic acid, isodecyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazard Classes and CategoriesNot Classified
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
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Isodecyl Stearate
Use ClassificationCosmetics -> Emollient; Skin conditioning
General Manufacturing InformationOctadecanoic acid, isodecyl ester: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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