Basic information
- CAS
620-64-4- Standard SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC- InChIKey
KCVWRCXEUJUXIG-UHFFFAOYSA-N- Molecular formula
- C63H122O6
- Average molar mass
- 975.6 g/mol
- Monoisotopic mass
- 974.92414161
Names & identifiers
- Preferred name
- Triarachidin
- IUPAC
- 2,3-di(icosanoyloxy)propyl icosanoate
- English name
- TRIARACHIDIN
- Molecular formula
- C63H122O6
- Molecular weight
- 975.64
Names & synonyms
Triarachidin620-64-4TriarachinGlyceryl triarachidate2,3-di(icosanoyloxy)propyl icosanoateEicosanoic acid, 1,2,3-propanetriyl esterEicosanoin, tri-1,2,3-Propanetriol trieicosanoate48RPR95FW8EINECS 210-646-7DYNASAN 120DTXSID901018697
Show more names
ARACHIDINTriarachineTriaachidinTRIEICOSANOINeicosanoin,tri-TRIARACHIDIN (C20:0)Trieicosanoin(C20:0)triarachidoylglycerol
Glycerol triarachinateRefChem:899049TRIARACHIDIN [INCI]1,2,3Triarachinoylglycerol1,2,3TrieicosanoylglycerolPropane1,2,3triyl triicosanoate1,2,3Propanetriol trieicosanoateDTXCID301476740
Database identifiers
- CAS
620-64-4- PubChem CID
- 522017
- DTXSID
DTXSID901018697- UNII
- 48RPR95FW8
- EC Number
- 210-646-7
Properties
Computed structural properties
- XLogP
- 28.4
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 62
- Heavy atoms
- 69
- Formal charge
- 0
- Complexity
- 975
Experimental & physicochemical properties
Chemical ClassesBiological Agents -> Fatty Acids and Fats
LipidsLipids -> Glycerolipids [GL] -> Triradylglycerols [GL03] -> Triacylglycerols [GL0301]
Cosmetics
Cosmetic ingredients (Triarachidin) -> CIR (Cosmetic Ingredient Review)
Emulsifying; Skin conditioning; Emollient
Physical Description
White powder; [Sigma-Aldrich MSDS]
Solid
Collision Cross Section349.1 Ų [M+NH4]+ [CCS Type: TIMS; Method: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)]
Physicochemical properties
- Melting point
- 75 · 75-78 °C
- Boiling point
- 863.6 · 863.6±32.0 °C(Predicted)
- Density
- 0.903 · 0.903±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationEicosanoic acid, 1,2,3-propanetriyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See Arachidic acid.
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
- F
- 10
- wgk
- -
- hs_code
- 2915.90.5050
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Metabolite PathwaysDe Novo Triacylglycerol Biosynthesis TG(20:0/20:0/20:0)
Uses & manufacturing
UsesCIR ingredient: Triarachidin
Use ClassificationCosmetics -> Emulsifying; Skin conditioning; Emollient
Applications
Description1,2,3-Triarachidoyl glycerol is a triacylglycerol containing three arachidic acid ( | 21906) groups. It has been found as a component of tomato seed oil.
UsesTriarachidin is a component found in tomato seed oil which exhibites moderate to potent, broad-spectrum antibacterial activities.
Upstream & downstream products
Upstream raw materials
Suppliers55 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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