3-[(2-Ethylhexyl)oxy]-1-propanamine

Basic Information

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CAS Number

5397-31-9

Molecular Formula

C11H25NO

Molecular Weight

187.33 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

Boiling Point

78°C/1mmHg

Water Solubility

0.1-0.5 g/100 mL at 20.5 ºC

Flash Point

217 °F

Solubility

15g/l

Refractive Index

1.438

SMILES

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CCCCC(CC)COCCCN

InChI

InChI=1S/C11H25NO/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11H,3-10,12H2,1-2H3

InChIKey

DVFGEIYOLIFSRX-UHFFFAOYSA-N

LogP

2.568200000000001

Topological Polar Surface Area

35.25 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

96.1

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 6.1 Class 6.1

Explosive Limit

1-4.7%(V)

Synonyms & References

English

PA-12EH
EC 226-420-6
Isobutylcyanide
W-105689
NCGC00091627-02
MFCD00025619
3-[(2-Ethylhexyl)oxy]-1-propanamine #
2-Ethylhexyl 3-aminopropyl ether
Q27284340
NSC1078
SCHEMBL11734765
FT-0614798
CHEBI:194207
3-[(2-ethylhexyl)oxy]propan-1-amine
3-(2-Ethylhexyloxy)propylamine
n-Propanolamine 2-Ethylhexyl Ether
CCRIS 4648
1-Propanamine, 3-[(2-ethylhexyl)oxy]-
3-[(2-Ethylhexyl)oxy]propylamine
NSC-1078
NCGC00258390-01
Tox21_200836
NS00003097
DTXCID705304
A829870
3-Isooctoxylpropylamine
UNII-N09409V116
N09409V116
Tomah PA-12EH (Salt/Mix)
2-Ethylhexyloxypropylamine
Propylamine, 3-((2-ethylhexyl)oxy)-

MDL Number

MFCD00025619

Customs Code

2922199090

FAQ

What are the physical and chemical properties of 3-[(2-Ethylhexyl)oxy]-1-propanamine (CAS: 5397-31-9)?

3-[(2-Ethylhexyl)oxy]-1-propanamine is a colorless liquid with a molecular weight of approximately 228.34 g/mol. It has a pKa of about 10.6 and a solubility in water of 0.3 g/100 mL. It is slightly basic and reacts with acids to form salts. It is soluble in ethanol and acetone. It does not react readily with common reagents but can undergo esterification under certain conditions.

How is 3-[(2-Ethylhexyl)oxy]-1-propanamine (CAS: 5397-31-9) typically synthesized?

3-[(2-Ethylhexyl)oxy]-1-propanamine is synthesized by the reduction of 3-[(2-ethoxyhexyl)oxy]-1-propanone. The reaction typically involves the use of sodium borohydride or lithium aluminum hydride as the reducing agent. The process requires careful control of temperature and reaction time to achieve high yield and selectivity.

What industries use 3-[(2-Ethylhexyl)oxy]-1-propanamine (CAS: 5397-31-9)?

3-[(2-Ethylhexyl)oxy]-1-propanamine is used in the pharmaceutical industry as an intermediate in the synthesis of certain drugs. It is also utilized in the polymer industry for the production of polyurethane additives and in the sensor industry for the development of chemical sensors. Additionally, it finds applications in cosmetics and personal care products due to its organoleptic properties.

What precautions should be taken when handling 3-[(2-Ethylhexyl)oxy]-1-propanamine (CAS: 5397-31-9)?

When handling 3-[(2-Ethylhexyl)oxy]-1-propanamine, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. It should be handled in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbent materials and proper disposal methods. Safety data sheets (SDS) should be consulted for detailed handling and emergency procedures. Storage should be in a cool, dry place, away from strong acids and oxidizers.