2,4,6-Tri-tert-butylaniline

Basic Information

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CAS Number

961-38-6

Molecular Formula

C18H31N

Molecular Weight

261.45 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

Melting Point

145.0 to 149.0 deg-C

Boiling Point

302℃ at 760 mmHg

Density

0.896

Water Solubility

Insoluble in water.

Flash Point

123.7°C

Refractive Index

1.498

SMILES

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CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)N)C(C)(C)C

InChI

InChI=1S/C18H31N/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11H,19H2,1-9H3

InChIKey

REJGDSCBQPJPQT-UHFFFAOYSA-N

LogP

5.161300000000005

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

273

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

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Light Sensitive

Synonyms & References

English

2,4,6-Tri-tert-butylaniline
Tributylaniline
(2,4,6-Tri-tert-butylphenyl)amine
2,4,6-tritert-butylaniline
2,4,6-Tri-tert-butylphenylamine
2,4,6-tri-t-Butylaniline
2,4,6-Tri(tert-butyl)aniline
Benzenamine, 2,4,6-tris(1,1-dimethylethyl)-
REJGDSCBQPJPQT-UHFFFAOYSA-N
2,4,6-tris(tert-butyl)phenylamine
Aniline, tri-tert-butyl-
2,4,6-tritert-butylphenylamine
Aniline, 2,4,6-tri-tert-butyl-
2,4,6-Tri-tert-butyl-phenylamine
PubChem16758
Oprea1_343921
AMBZ0031
2,
2,4,6-Tris(1,1-dimethylethyl)benzenamine (ACI)
Aniline, 2,4,6-tri-tert-butyl- (6CI, 7CI, 8CI)
2,4,6-Tris(tert-butyl)aniline
2,4,6-Tritert-butylaniline
STK670835
InChI=1/C18H31N/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11H,19H2,1-9H
AKOS002669419
3-carboxy-4-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]benzoate
AE-848/01459002
2,4,6-TRI-TERT-BUTYLPHENYLAMINE
EU-0017571
NS00040474
CHEBI:190998

MDL Number

MFCD00007767

Customs Code

2921420090

FAQ

What regulatory guidelines apply to 2,4,6-Tri-tert-butylaniline (CAS: 961-38-6)?

2,4,6-Tri-tert-butylaniline (CAS: 961-38-6) falls under various regulatory guidelines. Under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), it is classified as a flammable liquid. In Europe, it is regulated under REACH (Registration, Evaluation, Authorization and Restriction of Chemicals) for its potential environmental and health impacts. The Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) in the USA may have specific regulations regarding its handling, storage, and disposal due to its flammability and potential toxicity.

Are there alternatives to 2,4,6-Tri-tert-butylaniline (CAS: 961-38-6) in synthesis?

Alternatives to 2,4,6-Tri-tert-butylaniline (CAS: 961-38-6) in synthesis include other anilines, such as 2,4-dimethylaniline or 2,6-dimethylaniline, and related tert-butyl-containing compounds. These compounds offer similar functionalities but may have different reactivity and solubility properties. For specific applications, it is advisable to evaluate the reactivity profiles of these alternatives to find the most suitable one.

What is the market or research trend for 2,4,6-Tri-tert-butylaniline (CAS: 961-38-6)?

The market for 2,4,6-Tri-tert-butylaniline (CAS: 961-38-6) has shown steady growth due to its use in pharmaceuticals, dyes, and rubber chemicals. Recent research trends focus on its application in drug development, particularly in the synthesis of novel drugs. Additionally, there is increasing interest in its potential use as a flame retardant and in the formulation of environmentally friendly products. Market analysts predict continued demand, driven by the pharmaceutical and chemical industries.

How should waste containing 2,4,6-Tri-tert-butylaniline (CAS: 961-38-6) be handled?

Waste containing 2,4,6-Tri-tert-butylaniline (CAS: 961-38-6) should be collected in appropriate, leak-proof containers and stored in a well-ventilated area away from heat sources and ignition. It can be safely incinerated or disposed of through professional waste disposal services that comply with local regulations. Prior to disposal, ensure that the waste does not pose a risk to human health or the environment. Implement necessary safety precautions, such as the use of personal protective equipment (PPE), to prevent exposure. Always consult the latest safety data sheet (SDS) for specific handling instructions.