트라이리놀레인
Trilinolein
기본 정보
- CAS
537-40-6- 표준 SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC- InChIKey
HBOQXIRUPVQLKX-BBWANDEASA-N- 분자식
- C57H98O6
- 평균 분자량
- 879.4 g/mol
- 단동위원소 질량
- 878.73634086
개요
1,2,3-trilinoleoylglycerol is a triglyceride formed by acylation of the three hydroxy groups of glycerol with linoleic acid. It has a role as a mouse metabolite. It is a TG(18:2/18:2/18:2), a linoleoyl containing 1,2,3-triacyl-sn-glycerol, a triglyceride, a 1,2-diacyl-3-linoleoylglycerol and a 1,3-diacyl-2-linoleoylglycerol. It is functionally related to a linoleic acid.
이름 및 식별자
- 우선 이름
- Trilinolein
- IUPAC
- 2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl (9Z,12Z)-octadeca-9,12-dienoate
- 현지명
- 트라이리놀레인
- 영어명
- TRILINOLEIN
- 분자식
- C57H98O6
- 분자량
- 879.38
이름 및 동의어
TrilinoleinGlycerol trilinoleate537-40-6V5LJ52OGS7EFADERMA-F2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl (9Z,12Z)-octadeca-9,12-dienoate(Z,Z)-9,12-Octadecadienoic acid, 1,2,3-propanetriyl estertrilinoelaidate9,12-Octadecadienoic acid (9Z,12Z)-, 1,2,3-propanetriyl estertrilinoleic glycerol2,3-bis(((9Z,12Z)-octadeca-9,12-dienoyl)oxy)propyl (9Z,12Z)-octadeca-9,12-dienoateRefChem:52098
이름 더 보기
트라이리놀레인LinolinLLLEfaderMa FTrilinolinEinecs 208-666-6Triglyceride LLLLLL triacylglycerolGLYCEROL TRILINOLATEC18:2,[CIS,CIS]-9,12
Glyceryl trilinoleateUNII-V5LJ52OGS71,2,3-Propanetriol trilinoleateTG(18:2/18:2/18:2)MFCD00042909CHEMBL3343985CHEBI:75844C57H98O6
물성
구조 계산 물성
- XLogP
- 20.3
- 극성 표면적
- 78.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 50
- 무거운 원자 수
- 63
- 형식 전하
- 0
- 복잡도
- 1,130
실험 및 물리화학적 성질
LipidsLipids -> Glycerolipids [GL] -> Triradylglycerols [GL03] -> Triacylglycerols [GL0301]
Cosmetics
Cosmetic ingredients (Trilinolein) -> CIR (Cosmetic Ingredient Review)
Refatting; Emollient; Viscosity controlling; Solvent
Physical DescriptionSolid
Ionization Efficiency
Positive
3.72
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
Collision Cross Section310.97 Ų [M+Na]+ [CCS Type: TIMS; Method: single field calibrated]
물리화학적 성질
- 녹는점
- -5 · -5--4 °C
- 끓는 점
- 816.5 · 816.5±65.0 °C(Predicted)
- 밀도
- 0.925 g/mL · 0.925 g/mL at 20 °C(lit.)
- 굴절률
- 20 · n20/D 1.479
- 저장 조건
- -20 °C · -20°C
- 용해도
- 클로로포름(약간 용해됨), 헥산(약간 용해됨)
- 물리적 상태
- 액체
- 색상
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
H413 (50%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 9,12-Octadecadienoic acid, (Z,Z)-, 1,2,3-propanetriyl ester
9,12-Octadecadienoic acid (9Z,12Z)-, 1,2,3-propanetriyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - 9,12-Octadecadienoic acid, (Z,Z)-, 1,2,3-propanetriyl ester: Human health tier I assessment
Hazard Classes and CategoriesAquatic Chronic 4 (50%)
독성 정보
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
안전 데이터
- wgk
- -
- HS 번호
- 1302190200
- risk_code
- 53
- 기존화학 물질
- KE-29346
- F 고인화성물질
- 10
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
Cellular LocationsExtracellular
Metabolite PathwaysDe Novo Triacylglycerol Biosynthesis TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))
용도 및 제조
UsesCIR ingredient: Trilinolein
Use ClassificationCosmetics -> Refatting; Emollient; Viscosity controlling; Solvent
응용 분야
용도trilinolein is an emollient, it replenishes the lipids present in the stratum corneum, thereby improving skin look, feel, and texture. Depending on a formulator’s requirements, it can also be used as a solvent and to control a formula’s viscosity.
추가 설명
정의ChEBI: A triglyceride formed by acylation of the three hydroxy groups of glycerol with linoleic acid.
관련 반응
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