Basic information
- Standard SMILES
CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC- InChIKey
LADGBHLMCUINGV-UHFFFAOYSA-N- Molecular formula
- C33H62O6
- Average molar mass
- 554.8 g/mol
- Monoisotopic mass
- 554.4546397
Overview
Tricaprin is a triglyceride obtained by formal acylation of the three hydroxy groups of glycerol by capric (decanoic) acid. It is a triglyceride and a decanoate ester.
Names & identifiers
- Preferred name
- Tricaprin
- IUPAC
- 2,3-di(decanoyloxy)propyl decanoate
- English name
- TRICAPRIN
- Molecular formula
- C33H62O6
- Molecular weight
- 554.84
Names & synonyms
Tricaprin621-71-6TridecanoinGlycerol tricaprateGlycerol tridecanoateGlyceryl tricaprateCapric acid triglycerideGlycerol tricaprinTricapric glycerideDynasan 110Decanoic acid, 1,2,3-propanetriyl esterCapric triglyceride
Show more names
TRYGLICERIDEGLYCERYL TRIDECANOATEGlyceryl tricaprinateCAPRINricaprindynasan110
2,3-di(decanoyloxy)propyl decanoate1,2,3-Propanol tridecanoateO1PB8EU98MDTXSID1042651NSC-147475PANACET 1000CAPTEX 1000CHEBI:77388
Database identifiers
- CAS
621-71-6- PubChem CID
- 69310
- DTXSID
DTXSID1042651- ChEBI
CHEBI:77388- UNII
- O1PB8EU98M
- EC Number
- 210-702-0
- Nikkaji
- J95.465I
Properties
Computed structural properties
- XLogP
- 12.2
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 32
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 543
Experimental & physicochemical properties
LipidsLipids -> Glycerolipids [GL] -> Triradylglycerols [GL03] -> Triacylglycerols [GL0301]
Cosmetics
Cosmetic ingredients (Tricaprin) -> CIR (Cosmetic Ingredient Review)
Personal care product -> emollient
Emollient; Skin conditioning; Solvent
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 31 · 31-32 °C
- Boiling point
- 254 °C · 254 °C / 5mmHg
- Density
- 0.98 g/ml · approximate 0.98 g/ml (20℃)
- refractive index
- 1.44 · approximate 1.44
- Flash point
- 20 °C · 20 °C
- storage temp.
- -20 °C · -20°C
- solubility
- Chloroform (Sparingly), DMSO (Slightly, Sonicated)
- form
- Solid
- color
- White to Off-White
- BRN
- 1717683 · 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
- 12.444 · 12.444 (est)
- CAS DataBase Reference
- 621 · 621-71-6(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 1 PB8EU98M · O1PB8EU98M
- NCI Drug Dictionary
- tricaprin
- EPA Substance Registry System
- Glycerol tridecanoate (621-71-6)
- UNSPSC Code
- 41141833 · 41141833
- NACRES
- 25 · NA.25
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H302+H312+H332-H315-H319
- Precautionary statements
- 210 · P210-P280-P305+P351+P338
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- F,Xn
- Risk Statements
- 11 · 11-20/21/22
- Safety Statements
- 26 · 26-28
- RIDADR
- 1282 · UN 1282 3/PG 2
- WGK Germany
- -
- RTECS
- 100000 · HE0100000
- TSCA
- TSCA listed
- HS Code
- 29171900 · 29171900
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (8 of 8) of all reports.
Not Classified
Aggregated GHS information provided per 8 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Decanoic acid, 1,2,3-propanetriyl ester
Decanoic acid, 1,2,3-propanetriyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Decanoic acid, 1,2,3-propanetriyl ester: Human health tier I assessment
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, type N95 (US)
- wgk
- -
- tsca
- TSCA listed
- rtecs
- HE0100000
- ridadr
- UN 1282 3/PG 2
- hs_code
- 29171900
- risk_code
- 11-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xn
- safety_code
- 26-28
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H225-H302+H312+H332-H315-H319
- Precautionary statements
- P210-P280-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Metabolite PathwaysDe Novo Triacylglycerol Biosynthesis TG(10:0/10:0/10:0)
Uses & manufacturing
UsesCIR ingredient: Tricaprin
Use ClassificationCosmetics -> Emollient; Skin conditioning; Solvent
General Manufacturing InformationDecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester: ACTIVE
Applications
Description1,2,3-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.
UsesTricaprin 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.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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Additional notes
DefinitionChEBI: A triglyceride obtained by formal acylation of the three hydroxy groups of glycerol by capric (decanoic) acid.
Related reactions
2 records
Linked notes
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