Cetrimonium stearate
Basic information
- CAS
124-23-2- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC[N+](C)(C)C- InChIKey
DXQWPBNWAKTXPF-UHFFFAOYSA-M- Molecular formula
- C37H77NO2
- Average molar mass
- 568 g/mol
- Monoisotopic mass
- 567.5954307
Names & identifiers
- Preferred name
- Cetrimonium stearate
- IUPAC
- hexadecyl(trimethyl)azanium;octadecanoate
- English name
- hexadecyltrimethylammonium stearate
- Molecular formula
- C19H42N.C18H35O2
- Molecular weight
- 568.02
Names & synonyms
Hexadecyltrimethylammonium stearateCETRIMONIUM STEARATE124-23-21-Hexadecanaminium, N,N,N-trimethyl-, octadecanoate4P1PNM96KRCETA STEARATEEINECS 204-691-1cetyltrimethylammonium stearateDTXSID7059563CETRIMONIUM STEARATE [MI]1-Hexadecanaminium, N,N,N-trimethyl-, octadecanoate (1:1)TRIMETHYLHEXADECYLAMMONIUM STEARATE
Show more names
TRIMETHYLHEXADECYLAMMONIUMSTEARATEHexadecyltrimethylaminium·stearateCetrimonium hydroxide/Cetrimonium, salts
AMMONIUM, HEXADECYLTRIMETHYL-, STEARATEN-HEXADECYL-N,N,N-TRIMETHYLAMMONIUM STEARATESTEARIC ACID, ION(1-), HEXADECYLTRIMETHYLAMMONIUMOCTADECANOIC ACID, ION(1-), N,N,N-TRIMETHYL-1-HEXADECANAMINIUMRefChem:575372DTXCID8033807204-691-1UNII-4P1PNM96KR
Database identifiers
- CAS
124-23-2- PubChem CID
- 31290
- DTXSID
DTXSID7059563- UNII
- 4P1PNM96KR
- EC Number
- 204-691-1
Properties
Computed structural properties
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 30
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 377
Physicochemical properties
- Melting point
- 142 · 142-143°
- FDA UNII
- 4 P1PNM96KR · 4P1PNM96KR
- EPA Substance Registry System
- 1 · 1-Hexadecanaminium, N,N,N-trimethyl-, octadecanoate (124-23-2)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Hexadecanaminium, N,N,N-trimethyl-, octadecanoate (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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