Triundecanoin
Basic information
- CAS
13552-80-2- Standard SMILES
CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCC)OC(=O)CCCCCCCCCC- InChIKey
MBXVIRZWSHICAV-UHFFFAOYSA-N- Molecular formula
- C36H68O6
- Average molar mass
- 596.9 g/mol
- Monoisotopic mass
- 596.50158988
Overview
Glycerol triundecanoate is a triglyceride.
Names & identifiers
- Preferred name
- Triundecanoin
- IUPAC
- 2,3-di(undecanoyloxy)propyl undecanoate
- English name
- TRIUNDECANOIN
- Molecular formula
- C36H68O6
- Molecular weight
- 596.92
Names & synonyms
Triundecanoin13552-80-2Glyceryl triundecanoateTrihendecanoinn-TrihendecanoinUndecanoin, tri-Undecanoic acid, 1,2,3-propanetriyl esterZTT041BJ4ODUB TUAGDERMOL M-27LANOL 311 TDTXSID3065532
Show more names
C11:0AKOMED CHENDECANOINTRIUNDECANINTRIUNDECANINEtri-undecanoi
RefChem:900644DTXCID3034321236-935-8TriundecylinPropane-1,2,3-triyl triundecanoateGlycerol triundecanoate2,3-di(undecanoyloxy)propyl undecanoateUndecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester
Database identifiers
- CAS
13552-80-2- PubChem CID
- 83574
- DTXSID
DTXSID3065532- ChEBI
CHEBI:172766- UNII
- ZTT041BJ4O
- EC Number
- 236-935-8
- Nikkaji
- J118.332J
Properties
Computed structural properties
- XLogP
- 13.8
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 35
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 584
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Triundecanoin) -> CIR (Cosmetic Ingredient Review)
Antistatic; Skin conditioning; Hair conditioning; Solvent; Emollient
Melting Point31.2 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 24 · 24-32 °C
- Boiling point
- 611.6 · 611.6±22.0 °C(Predicted)
- Density
- 0.942 · 0.942±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- biological source
- synthetic
- BRN
- 1810343 · 1810343
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Undecanoic acid, 1,2,3-propanetriyl ester
Other Safety InformationIMAP assessments - Undecanoic acid, 1,2,3-propanetriyl ester: Human health tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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 ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- YQ2581000
- hs_code
- 29157090
- risk_code
- 36/37/38
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
UsesCIR ingredient: Triundecanoin
Household ProductsInformation on 1 consumer products that contain Triundecanoin in the following categories is provided:
Use ClassificationCosmetics -> Antistatic; Skin conditioning; Hair conditioning; Solvent; Emollient
General Manufacturing InformationUndecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester: INACTIVE
Applications
UsesTriundecanoin is a component of hair tonics for promoting hair growth.
Description1,2,3-Triundecanoyl glycerol is a triacylglycerol that contains undecanoic acid at the sn-1, sn-2, and sn-3 positions. Dietary administration of a 7:3 (w/w) mixture of 1,2,3-triundecanoyl glycerol and corn oil prevents fasting-induced decreases in plasma glucose, alanine, and insulin levels, as well as the ratio of insulin to glucagon, in rats compared with dietary administration of corn oil alone.
UsesTriundecanoin is a component of hair tonics for promoting hair growth.
Additional notes
DefinitionChEBI: Glycerol triundecanoate is a triglyceride.
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