Basic information
- CAS
126-53-4- Standard SMILES
CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)OC(=O)CCCCCCCC- InChIKey
YRIMSXJXBHUHJT-UHFFFAOYSA-N- Molecular formula
- C30H56O6
- Average molar mass
- 512.8 g/mol
- Monoisotopic mass
- 512.4076895
Names & identifiers
- Preferred name
- Trinonanoin
- IUPAC
- 2,3-di(nonanoyloxy)propyl nonanoate
- English name
- TRINONANOIN
- Molecular formula
- C30H56O6
- Molecular weight
- 512.76
Names & synonyms
TripelargoninTrinonanoin126-53-4TripelargoinGlycerol tripelargonateGLYCERYL TRIPELARGONATENonanoic acid, 1,2,3-propanetriyl esterDTXSID501550397QCU1321U4NSC-5647RefChem:899968DTXCID8077530
Show more names
PELARGONINGLY PEAmonaridintrinonylintri-nonanoi
204-791-5Glyceryl trinonanoate2,3-di(nonanoyloxy)propyl nonanoateGlyceryl pelargonateTrinonanoateNonanoin, tri-propane-1,2,3-triyl trinonanoatePropane-1,2,3-triyl trinonan-1-oate
Database identifiers
- CAS
126-53-4- PubChem CID
- 31350
- DTXSID
DTXSID50155039- UNII
- 7QCU1321U4
- EC Number
- 204-791-5
- Nikkaji
- J118.325G
Properties
Computed structural properties
- XLogP
- 10.6
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 29
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 502
Experimental & physicochemical properties
CosmeticsCosmetic ingredients (Tripelargonin) -> CIR (Cosmetic Ingredient Review)
Physicochemical properties
- Melting point
- 8 · 8-9 °C
- Density
- 0.943 g/mL · 0.943 g/mL at 20 °C (lit.)
- vapor pressure
- 0.001 Pa · 0.001Pa at 25℃
- refractive index
- 20 · n20/D 1.449
- storage temp.
- 20 °C · −20°C
- solubility
- 20 mg/mL; · DMF: 20mg/mL; DMSO: 20mg/mL; Ethanol: 25mg/mL
- form
- A liquid
- Boiling point
- 544.1 · 544.1±17.0 °C(Predicted)
- Water Solubility
- 93.4 μg/L · 93.4μg/L at 20℃
- BRN
- 1809503 · 1809503
- Cosmetics Ingredients Functions
- SKIN CONDITIONING - EMOLLIENTSKIN CONDITIONING
- InChI
- 1S/C30H56O6/c1-4-7-10-13-16-19-22-28(31)34-25-27(36-30(33)24-21-18-15-12-9-6-3)26-35-29(32)23-20-17-14-11-8-5-2/h27H,4-26H2,1-3H3
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% (9 of 9) of all reports.
Not Classified
Aggregated GHS information provided per 9 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: Propane-1,2,3-triyl trinonan-1-oate (EC: 204-791-5)
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
- PPE
- Eyeshields, Gloves
- wgk
- 3
- rtecs
- RA7005000
- Storage Class
- 10 - Combustible liquids
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Tripelargonin
Applications
UsesTrinonanoin is an analog of Tricaproin (T773780) which is used as a delivery system for Paclitaxel (P132500), an anticancer agent.
Suppliers41 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海纽雀客生物科技有限公司13916276291 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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