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3030-47-5

Basic Information
CAS No.: 3030-47-5
Name: Pentamethyldiethylenetriamine
Article Data: 16
Cas Database
Molecular Structure:
Molecular Structure of 3030-47-5 (Pentamethyldiethylenetriamine)
Formula: C9H23N3
Molecular Weight: 173.302
Synonyms: 1,2-Ethanediamine,N-[2-(dimethylamino)ethyl]-N,N',N'-trimethyl- (9CI);Diethylenetriamine, 1,1,4,7,7-pentamethyl-(6CI,7CI,8CI);1,1,4,7,7-Pentamethyl-1,4,7-triazaheptane;2,5,8-Trimethyl-2,5,8-triazanonane;Bis[2-(dimethylamino)ethyl]methylamine;Dabco PMDETA;Desmorapid PV;JeffcatPMDETA;Kao 3;Kaolizer 3;Lupragen N 301;N 301;N,N,N',N',N''-Pentamethylbis(2-aminoethyl)amine;N-Methyl-N,N-bis(2-dimethylaminoethyl)amine;NiaxC 5;PC 5;PMDT;PMDTA;
EINECS: 221-201-1
Density: 0.871 g/cm3
Melting Point: -20 °C(lit.)
Boiling Point: 198 °C at 760 mmHg
Flash Point: 53.3 °C
Solubility: miscible with water
Appearance: clear to yellowish liquid
Hazard Symbols: ToxicT
Risk Codes: 22-24-34
Safety: 26-36/37/39-45
Transport Information: UN 2734 8/PG 2
PSA: 9.72000
LogP: 0.04140
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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

1. Introduction of Pentamethyldiethylenetriamine
Pentamethyldiethylenetriamine, is efficient catalyst used in polyurethane. It is also called 1,2-Ethanediamine,N-[2-(dimethylamino)ethyl]-N,N',N'-trimethyl- (9CI). The IUPAC Name of Pentamethyldiethylenetriamine is N-(2-dimethylaminoethyl)-N,N',N'-trimethylethane-1,2-diamine

2. Properties of Pentamethyldiethylenetriamine
Melting Point: -20 °C(lit.)
Boiling point: 198 °C at 760 mmHg
Flash Point: 53.3 °C
Density: 0.871 g/cm3
Refractive index: n20/D 1.442(lit.)
Sensitive: Air Sensitive
Stability: Stable. Flammable. Incompatible with strong oxidizing agents, strong acids.
Index of Refraction: 1.464 
Molar Refractivity: 54.9 cm3 
Molar Volume: 198.8 cm3 
Surface Tension: 30.4 dyne/cm
Enthalpy of Vaporization: .42 kJ/mol
Vapour Pressure: 0.368 mmHg at 25°C
XLogP3-AA: 0.3
H-Bond Donor: 0
H-Bond Acceptor: 3 

3. Structure Descriptors of Pentamethyldiethylenetriamine
Canonical SMILES: CN(C)CCN(C)CCN(C)C 
InChI: InChI=1S/C9H23N3/c1-10(2)6-8-12(5)9-7-11(3)4/h6-9H2,1-5H3  
InChIKey: UKODFQOELJFMII-UHFFFAOYSA-N
Product Categories: Industrial/Fine Chemicals

4. Toxicity of Pentamethyldiethylenetriamine

1.    

orl-rat LD50:1630 mg/kg

    AIHAAP    American Industrial Hygiene Association Journal. 30 (1969),470.
2.    

skn-rbt LD50:280 mg/kg

    AIHAAP    American Industrial Hygiene Association Journal. 30 (1969),470.

5. Safety Information of Pentamethyldiethylenetriamine

Hazard Codes  TToxic
Risk Statements  22-24-34 
R22:Harmful if swallowed. 
R24:Toxic in contact with skin. 
R34:Causes burns.
Safety Statements  26-36/37/39-45 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR  UN 2734 8/PG 2
WGK Germany  2
RTECS  IE2100000
F  10-34
HazardClass  8
PackingGroup  II
HS Code  29212900