Pentaerythrityl Tetrapelargonate
Basic information
- CAS
14450-05-6- Standard SMILES
CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC- InChIKey
IBKKMFMBXQARGV-UHFFFAOYSA-N- Molecular formula
- C41H76O8
- Average molar mass
- 697 g/mol
- Monoisotopic mass
- 696.55401938
Names & identifiers
- Preferred name
- Pentaerythrityl Tetrapelargonate
- IUPAC
- [3-nonanoyloxy-2,2-bis(nonanoyloxymethyl)propyl] nonanoate
- English name
- 2,2-bis[[(1-oxononyl)oxy]methyl]propane-1,3-diyl dinonan-1-oate
- Molecular formula
- C41H76O8
- Molecular weight
- 697.04
Names & synonyms
14450-05-6Pentaerythrityl tetrapelargonatePentaerythritol tetranonanoatepentaerythritol tetrapelargonateNonanoic acid, neopentanetetrayl ester2,2-BIS[[(1-OXONONYL)OXY]METHYL]PROPANE-1,3-DIYL DINONAN-1-OATERNT5EQ94KDNonanoic acid, 2,2-bis[[(1-oxononyl)oxy]methyl]-1,3-propanediyl esterPELEMOL PTPpentaerythritol nonanoateEINECS 238-430-82,2-Bis(((1-oxononyl)oxy)methyl)propane-1,3-diyl dinonan-1-oate
Show more names
Pentaerythrityl tetranonanoate2,2-Bis(nonanoyloxymethyl)propane-1,3-diol dinonanoate2,2-Bis[(nonanoyloxy)methyl]-1,3-propanediol dinonanoate
REOLUBE LP 3600AI3-14798DTXSID6027765Nonanoic acid, 2,2-bis(((1-oxononyl)oxy)methyl)-1,3-propanediyl esterNonanoic acid, 1,1'-[2,2-bis[[(1-oxononyl)oxy]methyl]-1,3-propanediyl] esterPENTAERYTHRITOL, TETRANONANOATEPENTAERYTHRITOL TETRAKISPELARGONATENonanoic acid, 1,1'-(2,2-bis(((1-oxononyl)oxy)methyl)-1,3-propanediyl) ester
Database identifiers
- CAS
14450-05-6- PubChem CID
- 84447
- DTXSID
DTXSID6027765- UNII
- RNT5EQ94KD
- EC Number
- 238-430-8
- Nikkaji
- J106.234D
Properties
Computed structural properties
- XLogP
- 14
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 40
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 678
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Pentaerythrityl Tetrapelargonate) -> CIR (Cosmetic Ingredient Review)
Emollient
Physical DescriptionLiquid; CBI
Physicochemical properties
- Density
- 0.954 g/cm3 · 0.954g/cm3 at 20℃
- vapor pressure
- 0.001 · 0.001-0.019Pa at 20-50℃
- form
- Liquid
- Cosmetics Ingredients Functions
- SKIN CONDITIONING - EMOLLIENT
- LogP
- 6.2 · 6.2
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 5 EQ94KD · RNT5EQ94KD
- EPA Substance Registry System
- Pentaerythritol tetranonanoate (14450-05-6)
- TSCA
- TSCA listed
- REACH Registrations
- Active
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% (7 of 7) of all reports.
Not Classified
Aggregated GHS information provided per 7 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Nonanoic acid, 2,2-bis[[(1-oxononyl)oxy]methyl]-1,3-propanediyl ester
Nonanoic acid, 1,1'-[2,2-bis[[(1-oxononyl)oxy]methyl]-1,3-propanediyl] ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Nonanoic acid, 1,1'-[2,2-bis[[(1-oxononyl)oxy]methyl]-1,3-propanediyl] ester 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: 2,2-bis[[(1-oxononyl)oxy]methyl]propane-1,3-diyl dinonan-1-oate (EC: 238-430-8)
Nonanoic acid, 2,2-bis(1-oxononyl)oxymethyl-1,3-propanediyl 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 environment
Hazard Classes and CategoriesNot Classified
Toxicology
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Safety data
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Pentaerythrityl Tetrapelargonate
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesLubricating agent
Industry UsesProcessing aids not otherwise specified
Use ClassificationCosmetics -> Emollient
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Nonanoic acid, 1,1'-[2,2-bis[[(1-oxononyl)oxy]methyl]-1,3-propanediyl] ester: ACTIVE
Suppliers
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Related reactions
0 records
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Compound notes
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