트라이카프린
트라이카프린 · TRYGLICERIDE · TRIDECANOIN · GLYCERYL TRIDECANOATE · Glycerol tricaprate · Glyceryl tricaprinate · Capric acid triglyceride · CAPRIN
식별자 및 물리적 특성
| CAS No. | 621-71-6 |
|---|---|
| 분자식 | C33H62O6 |
| 평균 분자량 | 554.8 g/mol |
| 단동위원소 질량 | 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 |
| 현지명 | 트라이카프린 |
화학 및 물리적 성질
| XLogP | 12.2 |
|---|---|
| 극성 표면적 | 78.9 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 32 |
| 무거운 원자 수 | 39 |
| 형식 전하 | 0 |
| 복잡도 | 543 |
| 지질 | Lipids -> Glycerolipids [GL] -> Triradylglycerols [GL03] -> Triacylglycerols [GL0301] |
| 화장품 | Cosmetic ingredients (Tricaprin) -> CIR (Cosmetic Ingredient Review)Personal care product -> emollientSkin conditioningSolvent |
| Physical Description | Solid |
| 녹는점 | 31-32 °C |
| 끓는 점 | 254 °C / 5mmHg |
| 밀도 | approximate 0.98 g/ml (20℃) |
| 굴절률 | approximate 1.44 |
| 인화점 | 20 °C |
| 저장 조건 | -20°C |
| 용해도 | 클로로포름(약간 용해됨), DMSO(약간 용해됨, 초음파 처리) |
| 물리적 상태 | Solid |
| 색상 | 흰색에서 황백색까지 |
| BRN | 1717683 |
| 화장품 원료 기능 | 피부 컨디셔닝향기향수 |
| 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(분배 계수) | 12.444 (est) |
| EPA | Glycerol tridecanoate (621-71-6) |
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 규제 정보 | 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 |
| 기타 안전 정보 | IMAP assessments - Decanoic acid, 1,2,3-propanetriyl ester: Human health tier I assessment |
| Hazard Classes and Categories | Not Classified |
| 독성 요약 | 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 |
| 수질 위해 등급(WGK) | - |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | HE0100000 |
| 운송 번호(UN) | UN 1282 3/PG 2 |
| 관세 코드 | 29171900 |
| 위험 문구(R) | 11-20/21/22 |
| 위험 표시 | F,Xn |
| 안전 문구(S) | 26-28 |
| 기존화학 물질 | KE-18022 |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
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.
용도
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.