Basic information
- CAS
3002-20-8- Standard SMILES
CCCCCCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCCCCCC)CCOC(=O)CCCCCCCCCCC- InChIKey
AKXHFKRRKWIXRH-UHFFFAOYSA-N- Molecular formula
- C42H81NO6
- Average molar mass
- 696.1 g/mol
- Monoisotopic mass
- 695.6063893
Names & identifiers
- Preferred name
- Dodecanoic acid, 1,1',1''-(nitrilotri-2,1-ethanediyl) ester
- IUPAC
- 2-[bis(2-dodecanoyloxyethyl)amino]ethyl dodecanoate
- English name
- nitrilotriethylene trilaurate
- Molecular formula
- C42H81NO6
- Molecular weight
- 696.1
Names & synonyms
3002-20-8Triethanolamine trilaurateLauric triethanolamine esterLauric triethanolaminetriesterEINECS 221-091-5Dodecanoic acid, nitrilotri-2,1-ethanediyl esterDodecanoic acid, 1,1',1''-(nitrilotri-2,1-ethanediyl) esterRefChem:135434Nitrilotriethylene trilaurate2-[bis(2-dodecanoyloxyethyl)amino]ethyl dodecanoateDTXSID60952430AKXHFKRRKWIXRH-UHFFFAOYSA-N
Show more names
Trisdodecanoic acid nitrilotris(2,1-ethanediyl) ester
Triethanolamine laurate, AldrichCPRNitrilotri(ethane-2,1-diyl) tridodecanoate
Database identifiers
- CAS
3002-20-8- PubChem CID
- 76353
- DTXSID
DTXSID60952430- EC Number
- 221-091-5
- Nikkaji
- J205.296B
Properties
Computed structural properties
- XLogP
- 15.4
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 42
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 635
Physicochemical properties
- Boiling point
- 701 · 701.0±40.0 °C(Predicted)
- Density
- 0.941 · 0.941±0.06 g/cm3(Predicted)
- pka
- 5.29 · 5.29±0.50(Predicted)
- EPA Substance Registry System
- Triethanolamine trilaurate (3002-20-8)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationDodecanoic acid, 1,1',1''-(nitrilotri-2,1-ethanediyl) ester: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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