Basic information
- CAS
108797-85-9- Standard SMILES
CCCCC(CC)COCC(O)C[N+](C)(C)CC(O)CS(=O)(=O)[O-]- InChIKey
FAWBMRXIDCEGBG-UHFFFAOYSA-N- Molecular formula
- C16H35NO6S
- Average molar mass
- 369.5 g/mol
- Monoisotopic mass
- 369.21850901
Names & identifiers
- Preferred name
- 1-propanaminium, 3-((2-ethylhexyl)oxy)-2-hydroxy-n-(2-hydroxy-3-sulfopropyl)-n,n-dimethyl-, inner salt
- IUPAC
- 3-[[3-(2-ethylhexoxy)-2-hydroxypropyl]-dimethylazaniumyl]-2-hydroxypropane-1-sulfonate
- English name
- 1-Propanaminium, 3-(2-ethylhexyl)oxy-2-hydroxy-N-(2-hydroxy-3-sulfopropyl)-N,N-dimethyl-, inner salt
- Molecular formula
- C16H35NO6S
- Molecular weight
- 369.52
Names & synonyms
108797-85-9UNII-461179NDF73-((2-Ethylhexyl)oxy)-2-hydroxy-N-(2-hydroxy-3-sulfopropyl)-N,N-dimethyl-1-propanaminium461179NDF7DTXSID90412811-Propanaminium, 3-((2-ethylhexyl)oxy)-2-hydroxy-N-(2-hydroxy-3-sulfopropyl)-N,N-dimethyl-, inner salt1-Propanaminium, 3-[(2-ethylhexyl)oxy]-2-hydroxy-N-(2-hydroxy-3-sulfopropyl)-N,N-dimethyl-, inner salt1-Propanaminium, 3-((2-ethylhexyl)oxy)-2-hydroxy-N-(2-hydroxy-3-sulfopropyl)-N,N-dimethyl-, hydroxide, inner salt1-Propanaminium, 3-(2-ethylhexyl)oxy-2-hydroxy-N-(2-hydroxy-3-sulfopropyl)-N,N-dimethyl-, inner saltRefChem:197097DTXCID70212812-Ethylhexylether hydroxypropyl sultaine
Show more names
600-881-7FAWBMRXIDCEGBG-UHFFFAOYSA-N3-[[3-(2-ethylhexoxy)-2-hydroxypropyl]-dimethylazaniumyl]-2-hydroxypropane-1-sulfonateSCHEMBL8144001Q272588773-[{3-[(2-Ethylhexyl)oxy]-2-hydroxypropyl}di(methyl)azaniumyl]-2-hydroxypropane-1-sulfonate
Database identifiers
- CAS
108797-85-9- PubChem CID
- 86288
- DTXSID
DTXSID9041281- UNII
- 461179NDF7
- EC Number
- 600-881-7
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 407
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- FDA UNII
- 461179 NDF7 · 461179NDF7
- EPA Substance Registry System
- 1 · 1-Propanaminium, 3-[(2-ethylhexyl)oxy]-2-hydroxy-N-(2-hydroxy-3-sulfopropyl)-N,N-dimethyl-, inner salt (108797-85-9)
- 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.
Hazard information
Regulatory Information
Chemical: 1-Propanaminium, 3-[(2-ethylhexyl) oxy]-2-hydroxy-N- (2-hydroxy-3-sulfopropyl)-N, N-dimethyl-, inner salt
1-Propanaminium, 3-[(2-ethylhexyl)oxy]-2-hydroxy-N-(2-hydroxy-3-sulfopropyl)-N,N-dimethyl-, inner salt is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanaminium, 3-[(2-ethylhexyl)oxy]-2-hydroxy-N-(2-hydroxy-3-sulfopropyl)-N,N-dimethyl-, inner salt are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
1-Propanaminium, 3-(2-ethylhexyl)oxy-2-hydroxy-N-(2-hydroxy-3-sulfopropyl)-N,N-dimethyl-, inner salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 75,000 - <500,000 lb
Consumer UsesSurfactant (surface active agent)
Industry UsesSurfactant (surface active agent)
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
1-Propanaminium, 3-[(2-ethylhexyl)oxy]-2-hydroxy-N-(2-hydroxy-3-sulfopropyl)-N,N-dimethyl-, inner salt: ACTIVE
Suppliers1 total
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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