Decanoic acid, mixed triesters with octanoic acid and trimethylolpropane
Basic information
- CAS
11138-60-6- Standard SMILES
CCC(CO)(CO)CO.CCCCCCCC(=O)O.CCCCCCCCCC(=O)O- InChIKey
ZDIYIODMIWSRET-UHFFFAOYSA-N- Molecular formula
- C24H50O7
- Average molar mass
- 450.6 g/mol
- Monoisotopic mass
- 450.35565393
Names & identifiers
- Preferred name
- Decanoic acid, mixed triesters with octanoic acid and trimethylolpropane
- IUPAC
- decanoic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;octanoic acid
- English name
- Trihydroxymethylpropyl trioleate
- Molecular formula
- C24H50O7
- Molecular weight
- 450.66
Names & synonyms
EINECS 297-291-193384-77-1RefChem:131219297-291-1decanoic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; octanoic aciddecanoic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;octanoic acidUNII-N1TRQ06KVJSCHEMBL2535594ZDIYIODMIWSRET-UHFFFAOYSA-NHTCCTRIMETHYLOLPROPANE TRICAPRYLATE/TRICAPRATETricaprate
Show more names
Trihydroxymethylpropyl trioleatTrihydroxymethylpropyl trioleateTrimethylolpropane caprylate/caprateTrimethylolpropane caprate-caprylate11138-60-6 Trihydroxymethylpropyl trioleatetrimethylolpropane, caprylate caprate triesterTrimethylolpropane tri-(octyl-decyl) acid ester
Database identifiers
- CAS
11138-60-6、85186-18-1、93384-77-1- PubChem CID
- 82773
- EC Number
- 297-291-1
Properties
Computed structural properties
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 18
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- storage temp.
- Cool Dry Place
- form
- liquid
- Cosmetics Ingredients Functions
- SKIN CONDITIONINGSKIN CONDITIONING - EMOLLIENT
- InChI
- InChI=1S/C10H20O2.C8H16O2.C6H14O3/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8(9)10;1-2-6(3-7,4-8)5-9/h2-9H2,1H3,(H,11,12);2-7H2,1H3,(H,9,10);7-9H,2-5H2,1H3
- InChIKey
- ZDIYIODMIWSRET-UHFFFAOYSA-N
- SMILES
- C(CO)(CO)(CO)CC.C(CC(=O)O)CCCCC.C(CCC(=O)O)CCCCCC
- LogP
- 3.965 · 3.965 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 1 TRQ06KVJ · N1TRQ06KVJ
- EPA Substance Registry System
- Trimethylolpropane octanoate decanoate (11138-60-6)
- TSCA
- TSCA listed
- REACH Registrations
- Active
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 ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- REACH Registrations
- Active
Chemistry & industry
Applications
UsesTrihydroxymethylpropyl trioleate can be used as lubricants, metal oil additives, chemical fibre oils, plastic lubricants and so on.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…