1-propanaminium, 2-hydroxy-n,n-dimethyl-n-(3-((1-oxododecyl)amino)propyl)-3-sulfo-, inner salt
Basic information
- CAS
19223-55-3- Standard SMILES
CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(O)CS(=O)(=O)[O-]- InChIKey
IXOCGRPBILEGOX-UHFFFAOYSA-N- Molecular formula
- C20H42N2O5S
- Average molar mass
- 422.6 g/mol
- Monoisotopic mass
- 422.28144362
Names & identifiers
- Preferred name
- 1-propanaminium, 2-hydroxy-n,n-dimethyl-n-(3-((1-oxododecyl)amino)propyl)-3-sulfo-, inner salt
- IUPAC
- 3-[3-(dodecanoylamino)propyl-dimethylazaniumyl]-2-hydroxypropane-1-sulfonate
- English name
- (2-hydroxy-3-sulphopropyl)dimethyl[3-[(1-oxododecyl)amino]propyl]ammonium hydroxide
- Molecular formula
- C20H42N2O5S
- Molecular weight
- 422.63
Names & synonyms
Softazoline LSB-RSoftazoline LSB19223-55-3lauramidopropyl hydroxysultaineUNII-VPE363894VRALUFON CAS-OHVPE363894VEINECS 242-893-1EC 242-893-11-Propanaminium, 2-hydroxy-N,N-dimethyl-N-(3-((1-oxododecyl)amino)propyl)-3-sulfo-, inner salt1-Propanaminium, 2-hydroxy-N,N-dimethyl-N-[3-[(1-oxododecyl)amino]propyl]-3-sulfo-, inner saltN-(3-Laurylamidopropyl)-N,N-dimethyl-N-(2-hydroxy-3-sulfopropyl)ammonium, inner salt
Show more names
LAURYLAMIDOPROPYLHYDROXYSULTAINEDodecylamidopropyl Sulfonate BetaineLAURAMIDOPROPYL HYDROXYSULTAINE,WATERLAURAMIDOPROPYL HUDROXYSULTAINE, WATERN-(2-Hydroxy-3-sulfonatopropyl)-N,N-dimethyl-3-(lauroylamino)propane-1-aminium(2-hydroxy-3-sulphopropyl)dimethyl[3-[(1-oxododecyl)amino]propyl]ammonium hydroxide2-Hydroxy-N,N-dimethyl-N-[3-[(1-oxododecyl)amino]propyl]-3-sulfonato-1-propanaminium
N-LAUROYLAMINOPROPYL-N,N-DIMETHYL-N-(2-HYDROXYSULFOPROPYL)AMMONIUM BETAINERefChem:77062LAURAMIDOPROPYL HYDROXYSULTAINE [INCI]242-893-1N-(3-Cocoamidopropyl)-N,N-dimethyl-N-(2-hydroxy-3-sulfopropyl)ammonium betaine3-((3-Dodecanamidopropyl)dimethylammonio)-2-hydroxypropane-1-sulfonateC20H42N2O5S3-[3-(dodecanoylamino)propyl-dimethylazaniumyl]-2-hydroxypropane-1-sulfonate
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 17
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 490
Experimental & physicochemical properties
CosmeticsCosmetic ingredients (Lauramidopropyl Hydroxysultaine) -> CIR (Cosmetic Ingredient Review)
Physical DescriptionLiquid; CBI
Physicochemical properties
- Boiling point
- 311.6 ℃[at · 311.6℃[at 101 325 Pa]
- Density
- 1.304 · 1.304[at 20℃]
- vapor pressure
- 0 Pa · 0Pa at 20℃
- Water Solubility
- 556 g/L · 556g/L at 20℃
- LogP
- 2.1 at · 2.1 at 25℃
- FDA UNII
- 363894 V · VPE363894V
- EPA Substance Registry System
- 1 · 1-Propanaminium, 2-hydroxy-N,N-dimethyl-N-[3-[(1-oxododecyl)amino]propyl]-3-sulfo-, inner salt (19223-55-3)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
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 Classification
Danger
H315 (76.9%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 26 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1-Propanaminium, 2-hydroxy-N,N-dimethyl-N-[3-[(1-oxododecyl)amino]propyl]-3-sulfo-, inner salt
1-Propanaminium, 2-hydroxy-N,N-dimethyl-N-[3-[(1-oxododecyl)amino]propyl]-3-sulfo-, inner salt is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanaminium, 2-hydroxy-N,N-dimethyl-N-[3-[(1-oxododecyl)amino]propyl]-3-sulfo-, 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)
REACH registered substance: (2-hydroxy-3-sulphopropyl)dimethyl[3-[(1-oxododecyl)amino]propyl]ammonium hydroxide (EC: 242-893-1)
1-Propanaminium, 2-hydroxy-N,N-dimethyl-N-[3-[(1-oxododecyl)amino]propyl]-3-sulfo-, inner salt: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (76.9%)
Toxicology
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Lauramidopropyl Hydroxysultaine
U.S. Production2023: 250,000 - <400,000 lb
Consumer UsesSurfactant (surface active agent)
Industry UsesSurfactant (surface active agent)
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1-Propanaminium, 2-hydroxy-N,N-dimethyl-N-[3-[(1-oxododecyl)amino]propyl]-3-sulfo-, inner salt: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…