3-[Bis(2-hydroxyethyl)amino]-2-hydroxy-1-propanesulfonic acid

Basic Information

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CAS Number

68399-80-4

Molecular Formula

C7H17NO6S

Molecular Weight

243.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

189-192 °C

Boiling Point

449°C at 760 mmHg

Density

1.494

Water Solubility

almost transparency

Solubility

H2O: 0.1 M at 20 °C, clear, colorless

Refractive Index

1.568

SMILES

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C(CO)N(CCO)CC(CS(=O)(=O)O)O

InChI

InChI=1S/C7H17NO6S/c9-3-1-8(2-4-10)5-7(11)6-15(12,13)14/h7,9-11H,1-6H2,(H,12,13,14)

InChIKey

XCBLFURAFHFFJF-UHFFFAOYSA-N

LogP

-2.4782999999999977

pKa

7.6(at 25℃)

Topological Polar Surface Area

118.30000000000001 Å²

Hydrogen Bond Donor/Acceptor

4 / 7

Complexity

243

Safety Information

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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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3-[bis(2-hydroxyethyl)amino]-2-hydroxypropanesulfonic acid
3-(N,N-BIS(2-HYDROXYETHYL)AMINO)-2-HYDROXYPROPANESULFONIC ACID
MFCD00038353
PD080189
3-[n-bis(hydroxyethyl)amino]-2-hydroxypropanesulfonic acid
N,N-Bis(2-hydroxyethyl)-3-amino-2-hydroxypropanesulfonic acid
NS00062539
DS-8011
CS-0015182
AKOS005267109
NSC-378145
3-(Bis(2-hydroxyethyl)amino)-2-hydroxypropane-1-sulfonic acid
UNII-K9ARD8RDK3
SCHEMBL127822
DIPSO, BioXtra, pH 4.0-5.5 (20 C, 0.1 M in H2O), >=98% (titration)
3-[bis(2-hydroxyethyl)amino]-2-hydroxy-propane-1-sulfonic acid
F20332
1-Propanesulfonic acid, 3-[bis(2-hydroxyethyl)amino]-2-hydroxy-
K9ARD8RDK3
FT-0625303
1-Propanesulfonic acid, 3-(bis(2-hydroxyethyl)amino)-2-hydroxy-
4-(4-METHOXYPHENOXY)BUTANOICACID
3-[bis(2-hydroxyethyl)amino]-2-hydroxypropane-1-sulfonic acid
3-(Bis(2-hydroxyethyl)amino)-2-hydroxy-1-propanesulfonic acid
SY036942
3-[bis(2-hydroxyethyl)amino]-2-hydroxy-1-propanesulfonic acid
3-(Bis(2-hydroxyethyl)amino)-2-hydroxypropanesulphonic acid
B1494
3-[N,N-Bis(2-hydroxyethyl)amino]-2-hydroxy-1-propanesulfonic acid
DIPSO
3-[bis(2-hydroxyethyl)amino]-2-hydroxypropanesulphonic acid

MDL Number

MFCD00038353

Customs Code

2922199090

FAQ

What is 3-[Bis(2-hydroxyethyl)amino]-2-hydroxy-1-propanesulfonic acid (CAS: 68399-80-4)?

3-[Bis(2-hydroxyethyl)amino]-2-hydroxy-1-propanesulfonic acid, with the CAS number 68399-80-4, is a multifunctional organic compound containing multiple hydroxyl and amino groups. It is commonly known as a tribasic acid and is used as a pH buffer and stabilizer in various applications. The chemical formula is C9H21NO8S, and it is typically a white crystalline solid with good water solubility.

What are the main uses of 3-[Bis(2-hydroxyethyl)amino]-2-hydroxy-1-propanesulfonic acid (CAS: 68399-80-4)?

This compound is widely used as a pH buffer in pharmaceuticals and cosmetics due to its buffering capacity and biocompatibility. It also serves as a stabilizer in food products and industrial applications, helping to maintain product quality and shelf life. Additionally, it is used in research for its chelating properties and as a component in various chemical formulations.

Is 3-[Bis(2-hydroxyethyl)amino]-2-hydroxy-1-propanesulfonic acid (CAS: 68399-80-4) safe?

3-[Bis(2-hydroxyethyl)amino]-2-hydroxy-1-propanesulfonic acid is generally considered safe when used in accordance with recommended guidelines. It has low toxicity and is non-irritating to skin and eyes. However, proper handling is required, such as using gloves and ensuring good ventilation, to avoid exposure. Safety standards for handling and use are well-established in industrial and research settings.

How should 3-[Bis(2-hydroxyethyl)amino]-2-hydroxy-1-propanesulfonic acid (CAS: 68399-80-4) be stored?

This compound should be stored in a cool, dry, and dark place, preferably at 2-8°C. It is stable under these conditions and should be kept in a sealed container to prevent moisture absorption. Avoid exposure to light and air to maintain its chemical integrity and effectiveness over time.