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Basic Information
CAS No.: 556-72-9
Name: 2 2 4 4 6-PENTAMETHYL-2 3 4 5-TETRAHYDROPYRIMIDINE
Article Data: 16
Molecular Structure:
Molecular Structure of 556-72-9 (2 2 4 4 6-PENTAMETHYL-2 3 4 5-TETRAHYDROPYRIMIDINE)
Formula: C9H18 N2
Molecular Weight: 154.255
Synonyms: 2,2,4,4,6-Pentamethyl-2,3,4,5-tetrahydropyrimidine;2,3,4,5-Tetrahydro-2,2,4,4,6-pentamethylpyrimidine; Acetonin; Acetonine
Density: 0.93g/cm3
Boiling Point: 188.6°C at 760 mmHg
Flash Point: 67.9°C
Safety: Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.
PSA: 24.39000
LogP: 1.71970
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Chemistry

IUPAC Name: 2,2,4,6,6-Pentamethyl-1,5-dihydropyrimidine
Molecular Formula: C9H18N2
Molecular Weight: 155.30g/mol
Density: 0.93 g/cm3 
Boiling Point: 188.6 °C at 760 mmHg
Flash Point: 67.9 °C
Properties: pale-yellow liquid; ammoniacal odor
Freely Rotating Bonds: 0
Polar Surface Area: 15.6 Å2
Index of Refraction: 1.491
Molar Refractivity: 47.71 cm3
Molar Volume: 164.5 cm3
Polarizability: 18.91× 10-24 cm3
Surface Tension: 28 dyne/cm
Enthalpy of Vaporization: 42.48 kJ/mol
Vapour Pressure: 0.593 mmHg at 25°C
The Cas Register Number of 2,2,4,6,6-Pentamethyltetrahydro pyrimidine is 556-72-9.The chemical synonyms of 2,2,4,6,6-Pentamethyltetrahydro pyrimidine (CAS NO.556-72-9) are 2,2,4,6,6-Pentamethyltetrahydro-pyrimidin ; 2,2,4,6,6-Pentamethyltetrahydropyrimidine ; Acetonin;acetonine ; 2,2,4,6,6-Pentamethyl-2,3,4,5-tetra-hydropyrimidine ; 2 2 4 4 6-Pentamethyl-2 3 4 5-tetrahydropyrimidine ; 2,3,4,5-Tetrahydro-2,2,4,4,6-pentamethylpyrimidine .The molecular structure of 2,2,4,6,6-Pentamethyltetrahydro pyrimidine (CAS NO.556-72-9) is .

Uses

 2,2,4,6,6-Pentamethyltetrahydro pyrimidine (CAS NO.556-72-9) can be used in organic synthesis.

Toxicity Data With Reference

1.    

orl-rat LDLo:1000 mg/kg

     SCCUR*    Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583)
2.    

orl-mus LDLo:700 mg/kg

     SCCUR*    Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583)
3.    

orl-rbt LDLo:1200 mg/kg

     SCCUR*    Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583)

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

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