Basic information
- CAS
4130-35-2- Standard SMILES
CCCCCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCCCC)c(C(=O)OCCCCCCCCCC)c1- InChIKey
SMYKBXMWXCZOLU-UHFFFAOYSA-N- Molecular formula
- C39H66O6
- Average molar mass
- 630.9 g/mol
- Monoisotopic mass
- 630.48593982
Overview
The CIR Expert Panel concluded that tridecyl trimellitate, tricaprylyl/capryl trimellitate*, triethylhexyl trimellitate, triisodecyl trimellitate, and triisotridecyl trimellitate are safe in cosmetics in the present practices of use and concentration described in this safety assessment when formulated to be non-irritating.
Names & identifiers
- Preferred name
- Tridecyl Trimellitate
- IUPAC
- tris-decyl benzene-1,2,4-tricarboxylate
- English name
- tridecyl benzene-1,2,4-tricarboxylate
- Molecular formula
- C39H66O6
- Molecular weight
- 630.94
Names & synonyms
Tridecyl trimellitate4130-35-21,2,4-Benzenetricarboxylic acid, tris(decyl) esterFY36J270ESPELEMOL TDTMEINECS 223-944-7UNII-FY36J270ESHATCOL 5103DTXSID508633241,2,4-Benzenetricarboxylic acid, 1,2,4-tris(decyl) esterRefChem:191460DTXCID90811960
Show more names
1,2,4-Benzenetricarboxylic acid trisdecyl ester
TRIDECYL TRIMELLITATE [INCI]223-944-71,2,4-Benzenetricarboxylic acid, tritridecyl estertris(decyl) benzene-1,2,4-tricarboxylateTridecylbenzene-?1,?2,?4-?tricarboxylateTRIDECYL BENZENE-1,2,4-TRICARBOXYLATESCHEMBL152231,2,4-Benzenetricarboxylic acid, tridecyl ester (iso)
Database identifiers
- CAS
4130-35-2- PubChem CID
- 61333
- DTXSID
DTXSID50863324- UNII
- FY36J270ES
- EC Number
- 223-944-7
- Nikkaji
- J167.557E
Properties
Computed structural properties
- XLogP
- 15
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 33
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 722
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Tridecyl Trimellitate) -> CIR (Cosmetic Ingredient Review)
Skin conditioning; Emollient
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 657.9 · 657.9±35.0 °C(Predicted)
- Density
- 0.972 · 0.972±0.06 g/cm3(Predicted)
- FDA UNII
- 36 J270ES · FY36J270ES
- EPA Substance Registry System
- 1 · 1,2,4-Benzenetricarboxylic acid, tris(decyl) ester (4130-35-2)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Toxicity Summary
The CIR Expert Panel concluded that tridecyl trimellitate, tricaprylyl/capryl trimellitate*, triethylhexyl trimellitate, triisodecyl trimellitate, and triisotridecyl trimellitate are safe in cosmetics in the present practices of use and concentration described in this safety assessment when formulated to be non-irritating.
Safe for use in cosmetics, with qualifications
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Tridecyl Trimellitate
Household Products
Information on 11 consumer products that contain Tridecyl trimellitate in the following categories is provided:
Information on 4 consumer products that contain Tridecyl Trimellitate in the following categories is provided:
Use ClassificationCosmetics -> Skin conditioning; Emollient
General Manufacturing Information1,2,4-Benzenetricarboxylic acid, 1,2,4-tris(decyl) ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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