2-Ethyl-N-(2-ethylhexyl)-1-hexanamine

Basic Information

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CAS Number

106-20-7

Molecular Formula

C16H35N

Molecular Weight

241.46 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

-60 ºC

Boiling Point

123 °C/5 mmHg

Water Solubility

<0.2 g/L (20 ºC)

Solubility

0.014g/l

Refractive Index

n20/D 1.443(lit.)

SMILES

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CCCCC(CC)CNCC(CC)CCCC

InChI

InChI=1S/C16H35N/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2/h15-17H,5-14H2,1-4H3

InChIKey

SAIKULLUBZKPDA-UHFFFAOYSA-N

LogP

5.008800000000004

pKa

40(at 25℃)

Topological Polar Surface Area

12.03 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

129

Safety Information

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GHS Hazard Pictograms

H302

H311

H314

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H311 Toxic in contact with skin
Acute toxicity, dermal

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Stability

Stable. Combustible. Incompatible with oxidizing agents.

Explosive Limit

0.6-3.7%(V)

Synonyms & References

English

N,N-Bis(2-ethylhexyl)amine #
Di-(2-ethylhexyl)amine
106-20-7
CAS-106-20-7
2,2'-DIETHYLHEXYLAMINE
MFCD00009489
NS00010732
Z277467980
1-Hexylamine, 2-ethyl-N-(2-ethylhexyl)-
Q26840939
2,2'-Diethyldihexylamine
SCHEMBL123557
InChI=1/C16H35N/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2/h15-17H,5-14H2,1-4H3
di-(2-ethyl-hexyl)-amine
N,N-Bis(2-ethylhexyl)amine
UNII-9U5Q5UV6DB
FT-0624575
NSC5329
AKOS005622644
NSC 5329
SAIKULLUBZKPDA-UHFFFAOYSA-
di-2-ethylhexyl amine
WLN: 4Y2 & 1M1Y4 & 2
DTXCID205053
DIETHYLHEXYLAMINE [INCI]
Bis(2-ethylhexyl)amine, purum, >=98.0% (GC)
CHEBI:193588
Diethylhexylamine
CCRIS 4619
Diisooctylamine
VS-02838

MDL Number

MFCD00009489

Customs Code

2921199090

FAQ

What are the physical and chemical properties of 2-Ethyl-N-(2-ethylhexyl)-1-hexanamine (CAS: 106-20-7)?

2-Ethyl-N-(2-ethylhexyl)-1-hexanamine (CAS: 106-20-7) is a colorless liquid at room temperature. Its molecular weight is approximately 224.36 g/mol. It has a high solubility in common organic solvents like ethanol, methanol, and acetone. It is slightly soluble in water. The compound is relatively stable under normal conditions but can react with strong acids or bases. It has a characteristic amine smell and is used in various applications due to its chemical reactivity and solubility properties.

How is 2-Ethyl-N-(2-2-ethylhexyl)-1-hexanamine (CAS: 106-20-7) typically synthesized?

2-Ethyl-N-(2-ethylhexyl)-1-hexanamine is typically synthesized via a reaction between a hexanamine and a 2-ethylhexyl ethyl ester under basic conditions. Commonly, sodium hydroxide is used as the catalyst. The synthesis involves a stepwise process where the ester undergoes a nucleophilic substitution with the amine, followed by amination. The yield is typically around 70-80%, and the purity can be increased through distillation.

What industries use 2-Ethyl-N-(2-ethylhexyl)-1-hexanamine (CAS: 106-20-7)?

2-Ethyl-N-(2-ethylhexyl)-1-hexanamine (CAS: 106-20-7) is used in various industries such as pharmaceuticals for drug synthesis, polymers as a monomer, and in the formulation of surfactants and emulsifiers. It is also used in the production of sensors and as a chemical intermediate in the synthesis of other amine-based compounds.

What precautions should be taken when handling 2-Ethyl-N-(2-ethylhexyl)-1-hexanamine (CAS: 106-20-7)?

When handling 2-Ethyl-N-(2-ethylhexyl)-1-hexanamine (CAS: 106-20-7), appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and lab coats. It should be stored in a cool, dry place away from heat and direct sunlight. Spills should be handled carefully using appropriate absorbents. The material safety data sheet (MSDS) should be consulted for detailed safety information and emergency procedures. Fume hoods are recommended during handling to minimize inhalation risks.