Octadecanoic acid, 26-hydroxy-3,6,9,12,15,18,21,24-octaoxahexacos-1-yl ester
Basic information
- CAS
5349-52-0- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCO- InChIKey
XPHIURAKMYNURA-UHFFFAOYSA-N- Molecular formula
- C36H72O11
- Average molar mass
- 680.9 g/mol
- Monoisotopic mass
- 680.50746311
Names & identifiers
- Preferred name
- Octadecanoic acid, 26-hydroxy-3,6,9,12,15,18,21,24-octaoxahexacos-1-yl ester
- IUPAC
- 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl octadecanoate
- English name
- 26-hydroxy-3,6,9,12,15,18,21,24-octaoxahexacos-1-yl stearate
- Molecular formula
- C36H72O11
- Molecular weight
- 680.95
Names & synonyms
5349-52-0Octadecanoic acid, 26-hydroxy-3,6,9,12,15,18,21,24-octaoxahexacos-1-yl esterNonaethylene glycol monostearateStearic acid, monoester with nonaethylene glycolNSC 1250EINECS 226-312-9DTXSID6063804RefChem:167632DTXCID9041445Stearic acid, monoester with nonaethylene glycol (8CI)Lipal 4 SE26-HYDROXY-3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-YL OCTADECANOATE
Show more names
PEG-9 STEARATEOctadecanoic acid 26-hydroxy-3,6,9,12,15,18,21,24-octaoxahexacosan-1-yl ester2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl octadecanoate
26-Hydroxy-3,6,9,12,15,18,21,24-octaoxahexacos-1-yl stearateSCHEMBL5145764NSC1250C17H35C(O)O(C2H4O)8C2H4OHNS00013960Octadecanoic acid,6,9,12,15,18,21,24-octaoxahexacos-1-yl ester
Database identifiers
- CAS
5349-52-0
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 43
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 583
Physicochemical properties
- EWG's Food Scores
- 1 · 1-6
- FDA UNII
- 67 V0H4I · WZU67V0H4I
- EPA Substance Registry System
- 26 · Octadecanoic acid, 26-hydroxy-3,6,9,12,15,18,21,24-octaoxahexacos-1-yl ester (5349-52-0)
- 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% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctadecanoic acid, 26-hydroxy-3,6,9,12,15,18,21,24-octaoxahexacos-1-yl ester: ACTIVE
Suppliers
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Related reactions
1 records
Compound notes
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