Pentamethyldiethylenetriamine Chemical Properties

Melting point:

−20 °C(lit.)

Boiling point:

198 °C(lit.)

Density 

0.83 g/mL at 25 °C(lit.)

vapor pressure 

0.23 mm Hg ( 20 °C)

refractive index 

n20/D 1.442(lit.)

Flash point:

128 °F

storage temp. 

Store below +30°C.

form 

Powder

pka

8.84±0.38(Predicted)

color 

White

Odor

Fishy, ammoniacal odor

PH

11.9 (100g/l, H2O, 20℃)

explosive limit

1.1-5.7%(V)

Water Solubility 

Miscible in water.

FreezingPoint 

<-70℃

Sensitive 

Air Sensitive

BRN 

1741396

Stability:

Stable. Flammable. Incompatible with strong oxidizing agents, strong acids.

InChI

1S/C9H23N3/c1-10(2)6-8-12(5)9-7-11(3)4/h6-9H2,1-5H3

InChIKey

UKODFQOELJFMII-UHFFFAOYSA-N

SMILES

CN(C)CCN(C)CCN(C)C

LogP

-2.1 at 25℃

CAS DataBase Reference

3030-47-5(CAS DataBase Reference)

EPA Substance Registry System

1,1,4,7,7-Pentamethyldiethylenetriamine (3030-47-5)

Safety Information

Hazard Codes 

T

Risk Statements 

22-24-34-10

Safety Statements 

26-36/37/39-45

RIDADR 

UN 2734 8/PG 2

WGK Germany 

2

RTECS 

IE2100000

F 

10-34

Autoignition Temperature

311 °F

TSCA 

TSCA listed

HazardClass 

8

PackingGroup 

II

HS Code 

29212900

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials

Hazard Classifications

Acute Tox. 3 Dermal
Acute Tox. 4 Oral
Eye Dam. 1
Skin Corr. 1B

Toxicity

LD50 orally in Rabbit: 1330 mg/kg LD50 dermal Rabbit 230 mg/kg

MSDS

• Language:English Provider:PMDTA
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

Pentamethyldiethylenetriamine Usage And Synthesis

Chemical Properties

colourless liquid with an amine odour

Uses

Used as ligand in NMR study of complexation/aggregation with neopentyllithium1 and in the study of ligand effects on the selectivity of CO2 incorporation into α,ω-diynes

Definition

ChEBI: Pentamethyldiethylenetriamine is a polyazaalkane. It is functionally related to a diethylenetriamine.

Flammability and Explosibility

Non flammable

Safety Profile

Poison by skin contact. Moderately toxic by ingestion.When heated to decomposition it emits toxic fumes of NOx.

Synthesis

99.5% of diethylenetriamine was added to the high-pressure reactor, and 5 wt% of Pd/C catalyst was added to the high-pressure reactor, and the amount of catalyst added accounted for 0.5 wt% of the amount of diethylenetriamine feed. After the replacement of nitrogen and hydrogen in the reactor, the reactor was filled with hydrogen and maintained at 3MPa, stirred vigorously, and the material in the reactor was heated up and maintained at 130??, and then 37% of formaldehyde solution was added dropwise, and the molar ratio of formaldehyde and diethylenetriamine was 5.5:1, and the time of formaldehyde addition was controlled to be 5 h. After the hydrogen absorption was stopped, the catalyst was maintained at 10 h, and the catalyst was added at 0.5wt% of the diethylenetriamine feeding amount. When the hydrogen absorption was stopped, it was kept for 10 minutes, the temperature was lowered to 50 ??, and the pressure was relieved and replaced, and the reaction solution in the kettle was filtered, and the catalyst of the retained solids was rinsed into the reaction kettle through the backwash operation and continued to be used for the next batch of hydrogenation, and the main components of the filtrate were pentamethyldivinylenetriamine and water. A sample of the filtrate was analyzed by gas chromatography, and the content of pentamethyldiethylenetriamine was 98.32 wt%. Using the same batch of catalyst, the same operation was repeated five times, and the contents of pentamethyldiethylenetriamine were 98.26 wt%, 97.83 wt%, 98.11 wt%, 97.24 wt%, 97.82 wt%, respectively.

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