Basic information
- CAS
28267-33-6- Standard SMILES
CCCCCCCCC(=O)OCCCOC(=O)CCCCCCCC- InChIKey
DKEVPXLUNUYNBV-UHFFFAOYSA-N- Molecular formula
- C21H40O4
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 356.29265975
Names & identifiers
- Preferred name
- Propanediol Dipelargonate
- IUPAC
- 3-nonanoyloxypropyl nonanoate
Names & synonyms
Propanediol dipelargonatePelemol P-99Trimethylene dipelargonate1,3-Propanediol, dinonanoateNonanoic acid, trimethylene esterUNII-MI7SX74X8GMI7SX74X8GNonanoic acid, 1,3-propanediyl esterPropanediol dipelargonate [INCI]Nonanoic acid, 1,1'-(1,3-propanediyl) esterDTXSID40182516RefChem:176297
Show more names
DTXCID8010500728267-33-6Propane-1,3-diyl dinonanoateSCHEMBL813169SCHEMBL11039289SCHEMBL11042876Q27284041
Database identifiers
- CAS
28267-33-6- PubChem CID
- 14839733
- DTXSID
DTXSID40182516- UNII
- MI7SX74X8G
- Nikkaji
- J106.496G
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 20
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 285
Experimental & physicochemical properties
CosmeticsCosmetic ingredients (Propanediol Dipelargonate) -> CIR (Cosmetic Ingredient Review)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Propanediol Dipelargonate
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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