Product Name

  • Name

    tert-butylmethylnitrosamine

  • EINECS
  • CAS No. 2504-18-9
  • Article Data5
  • CAS DataBase
  • Density 0.91g/cm3
  • Solubility
  • Melting Point 22-23 °C
  • Formula C15H24 O2
  • Boiling Point 177.3°Cat760mmHg
  • Molecular Weight 116.19
  • Flash Point 61°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by intraperitoneal and subcutaneous routes. Many nitrosamines are carcinogens. When heated to decomposition it emits toxic fumes of NOx. See also NITROSAMINES.
  • Risk Codes
  • Molecular Structure Molecular Structure of 2504-18-9 (tert-butylmethylnitrosamine)
  • Hazard Symbols
  • Synonyms 2H-3,9a-Methano-1-benzoxepin-9-methanol,3,4,5,5a,6,7-hexahydro-2,2,5a-trimethyl-, [3R-(3a,5aa,9aa)]-; (+)-Dehydrobaimuxinol;Dehydrobaimuxinol
  • PSA 32.67000
  • LogP 1.39810

Methyl-tert-butylnitrosamine Chemical Properties

Molecule structure of Methyl-tert-butylnitrosamine (CAS NO.2504-18-9):

IUPAC Name: N-tert-Butyl-N-methylnitrous amide 
Molecular Weight: 116.16158 g/mol
Molecular Formula: C5H12N2O 
Density: 0.91 g/cm3 
Boiling Point: 177.3 °C at 760 mmHg 
Flash Point: 61 °C
Index of Refraction: 1.435
Molar Refractivity: 33.23 cm3
Molar Volume: 127.3 cm3
Polarizability: 13.17×10-24 cm3
Surface Tension: 27.5 dyne/cm 
Enthalpy of Vaporization: 39.66 kJ/mol
Vapour Pressure: 1.41 mmHg at 25 °C
XLogP3: 0.8
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Exact Mass: 116.094963
MonoIsotopic Mass: 116.094963
Topological Polar Surface Area: 32.7
Heavy Atom Count: 8
Complexity: 84.9
Canonical SMILES: CC(C)(C)N(C)N=O
InChI: InChI=1S/C5H12N2O/c1-5(2,3)7(4)6-8/h1-4H3
InChIKey of Methyl-tert-butylnitrosamine (CAS NO.2504-18-9): YDNOESAJRGHRAE-UHFFFAOYSA-N

Methyl-tert-butylnitrosamine Toxicity Data With Reference

1.    

ipr-rat LD50:700 mg/kg

     BJIMAG    British Journal of Industrial Medicine. 19 (1962),276.
2.    

scu-rat LD50:630 mg/kg

     ZKKOBW    Zeitschrift fuer Krebsforschung und Klinische Onkologie. 80 (1973),17.

Methyl-tert-butylnitrosamine Safety Profile

Moderately toxic by intraperitoneal and subcutaneous routes. Many nitrosamines are carcinogens. When heated to decomposition it emits toxic fumes of NOx. See also NITROSAMINES.

Methyl-tert-butylnitrosamine Specification

 Methyl-tert-butylnitrosamine (CAS NO.2504-18-9) is also named as tert-Butylmethylnitrosamine ; BRN 1922546 ; CCRIS 3218 ; Methyl(T-butyl)nitrosamine ; Methyl-t-butylnitrosamine ; t-Butylamine, N-methyl-N-nitroso- .

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