3-[Hexadecyl(dimethyl)ammonio]-1-propanesulfonate

Basic Information

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CAS Number

2281-11-0

Molecular Formula

C21H45NO3S

Molecular Weight

391.7 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Melting Point

253-255 ºC

Boiling Point

°Cat760mmHg

SMILES

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CCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C21H45NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(2,3)20-18-21-26(23,24)25/h4-21H2,1-3H3

InChIKey

TUBRCQBRKJXJEA-UHFFFAOYSA-N

LogP

6.56020

Complexity

389

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

sulfobetaine-16
CHEMBL1213509
AKOS015897497
Hexadecyldimethyl(3-sulfopropyl)ammonium hydroxide inner salt [for biochemical research]
FT-0653481
3-(N,N-Dimethylpalmitylammonio)propanesulfonate
3-(Hexadecyldimethylammonio)propanesulfonate
C21H45NO3S
M02489
SB83690
Palmityldimethyl(3-sulfopropyl)ammonium Hydroxide Inner Salt
3-(Hexadecyldimethylammonio)propane-1-sulfonate
1-Hexadecanaminium, N,N-dimethyl-N-(3-sulfopropyl)-, inner salt
N-Palmityl sulfobetaine
3-(Hexadecyl(dimethyl)-.lambda.~5~-azanyl)-1-propanesulfonic acid
Palmityl sulfobetaine
A816371
3-[Dimethyl(palmityl)ammonio]propane-1-sulfonate
EINECS 218-918-7
DTXSID70177359
ZWITTERGENT 3-16 Detergent
J-014864
HY-W099575
MFCD00036911
Zwittergent 3-16
SB3-16
hexadecyl-dimethyl-(3-sulfopropyl)ammonium
CS-0152217
NS00049237
3-(Palmityldimethylammonio)propanesulfonate
NSC-628322

MDL Number

MFCD00036911

Customs Code

2923900090

FAQ

What are the physical and chemical properties of 3-[Hexadecyl(dimethyl)ammonio]-1-propanesulfonate (CAS: 2281-11-0)?

3-[Hexadecyl(dimethyl)ammonio]-1-propanesulfonate (CAS: 2281-11-0) is a white to off-white crystalline solid with a molecular weight of approximately 446.6 g/mol. It has a high solubility in water and is slightly soluble in organic solvents. The compound is reactive towards bases and exhibits good surfactant properties.

How is 3-[Hexadecyl(dimethyl)ammonio]-1-propanesulfonate (CAS: 2281-11-0) typically synthesized?

3-[Hexadecyl(dimethyl)ammonio]-1-propanesulfonate (CAS: 2281-11-0) is synthesized through an amidation reaction between hexadecylamine and propane-1-sulfonic acid. This process involves a base-catalyzed reaction using sodium hydroxide as a catalyst, followed by neutralization and purification steps. The yield is typically around 85-90%.

What industries use 3-[Hexadecyl(dimethyl)ammonio]-1-propanesulfonate (CAS: 2281-11-0)?

3-[Hexadecyl(dimethyl)ammonio]-1-propanesulfonate (CAS: 2281-11-0) is primarily used in the textile, personal care, and cleaning products industries due to its excellent surfactant properties. It is also applied in pharmaceuticals for drug delivery systems and in polymers for surfactant-modified polymers.

What precautions should be taken when handling 3-[Hexadecyl(dimethyl)ammonio]-1-propanesulfonate (CAS: 2281-11-0)?

When handling 3-[Hexadecyl(dimethyl)ammonio]-1-propanesulfonate (CAS: 2281-11-0), ensure the use of personal protective equipment (PPE) such as gloves, goggles, and lab coat. Store in a cool, dry place away from strong acids and oxidizers. Spills should be immediately cleaned up using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.