HuagongsheHuagongshe Chemistry Print Report · For research reference only
Tricaprin
TRYGLICERIDE · TRIDECANOIN · GLYCERYL TRIDECANOATE · Glycerol tricaprate · Glyceryl tricaprinate · Capric acid triglyceride · CAPRIN · ricaprin
Identifiers & Physical Properties
| CAS No. | 621-71-6 |
|---|---|
| Molecular formula | C33H62O6 |
| Average molar mass | 554.8 g/mol |
| Monoisotopic mass | 554.4546397 g/mol |
| SMILES | CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC |
| InChIKey | LADGBHLMCUINGV-UHFFFAOYSA-N |
| PubChem CID | 69310 |
| ChEBI | CHEBI:77388 |
| EC No. | 210-702-0 |
| DTXSID | DTXSID1042651 |
Chemical & Physical Properties
| XLogP | 12.2 |
|---|---|
| Topological polar surface area | 78.9 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 32 |
| Heavy atoms | 39 |
| Formal charge | 0 |
| Complexity | 543 |
| Lipids | Lipids -> Glycerolipids [GL] -> Triradylglycerols [GL03] -> Triacylglycerols [GL0301] |
| Cosmetics | Cosmetic ingredients (Tricaprin) -> CIR (Cosmetic Ingredient Review)Personal care product -> emollientSkin conditioningSolvent |
| Physical Description | Solid |
| Melting point | 31-32 °C |
| Boiling point | 254 °C / 5mmHg |
| Density | approximate 0.98 g/ml (20℃) |
| Refractive index | approximate 1.44 |
| Flash point | 20 °C |
| Storage conditions | -20°C |
| Solubility | Chloroform (Sparingly), DMSO (Slightly, Sonicated) |
| Physical state | Solid |
| Color | White to Off-White |
| BRN | 1717683 |
| Cosmetics Ingredients Functions | SKIN CONDITIONINGFRAGRANCEPERFUMING |
| InChI | 1S/C33H62O6/c1-4-7-10-13-16-19-22-25-31(34)37-28-30(39-33(36)27-24-21-18-15-12-9-6-3)29-38-32(35)26-23-20-17-14-11-8-5-2/h30H,4-29H2,1-3H3 |
| InChIKey | LADGBHLMCUINGV-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC |
| LogP (partition coefficient) | 12.444 (est) |
| CAS DataBase Reference | 621-71-6(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | O1PB8EU98M |
| NCI Drug Dictionary | tricaprin |
| EPA Substance Registry System | Glycerol tridecanoate (621-71-6) |
| UNSPSC Code | 41141833 |
| NACRES | NA.25 |
| GHS pictogram | GHS02,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H225-H302+H312+H332-H315-H319 |
| GHS precautionary statements | P210-P280-P305+P351+P338 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Hazard symbols | F,Xn |
| Risk statements (R) | 11-20/21/22 |
| Safety statements (S) | 26-28 |
| UN transport number | UN 1282 3/PG 2 |
| Water hazard class (WGK) | - |
| RTECS number | HE0100000 |
| TSCA inventory status | TSCA listed |
| Customs code | 29171900 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 100% (8 of 8) of all reports.Not ClassifiedAggregated GHS information provided per 8 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatory information | Chemical: Decanoic acid, 1,2,3-propanetriyl esterDecanoic acid, 1,2,3-propanetriyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Other safety information | IMAP assessments - Decanoic acid, 1,2,3-propanetriyl ester: Human health tier I assessment |
| Hazard Classes and Categories | Not Classified |
| Toxicity summary | Safe 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 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Water hazard class (WGK) | - |
| TSCA inventory status | TSCA listed |
| RTECS number | HE0100000 |
| UN transport number | UN 1282 3/PG 2 |
| Customs code | 29171900 |
| Risk statements (R) | 11-20/21/22 |
| Signal word | Danger |
| GHS pictogram | GHS02,GHS07 |
| Hazard symbols | F,Xn |
| Safety statements (S) | 26-28 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H225-H302+H312+H332-H315-H319 |
| GHS precautionary statements | P210-P280-P305+P351+P338 |
Applications & Uses
Description
1,2,3-Tridecanoyl glycerol is a triacylglycerol that contains decanoic acid at the sn-1, sn-2, and sn-3 positions. It has been found in human breast milk. 1,2,3-Tridecanoyl glycerol has been used as a standard for the quantification of triacylglycerols in fish oils by RP-HPLC. Formulations containing 1,2,3-tridecanoyl glycerol have been used in cosmetic products as thickening and skin-conditioning agents.
Uses
Tricaprin is used to construct solid lipid nanoparticles (SLNs) as delivery system for bromocriptine (B682600, Mesylate salt). It is also used in cationic SLNs to enhance p53 tumor suppressor gene transfer to lung cancer cells.