Product Name

  • Name

    N-NITROSO-N-(ACETOXYMETHYL)BUTYLAMINE

  • EINECS
  • CAS No. 56986-36-8
  • Article Data3
  • CAS DataBase
  • Density 1.08g/cm3
  • Solubility
  • Melting Point
  • Formula C7H14 N2 O3
  • Boiling Point 282.8°Cat760mmHg
  • Molecular Weight 174.2
  • Flash Point 124.9°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by ingestion. Questionable carcinogen with experimental carcinogenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also NITROSAMINES.
  • Risk Codes
  • Molecular Structure Molecular Structure of 56986-36-8 (N-NITROSO-N-(ACETOXYMETHYL)BUTYLAMINE)
  • Hazard Symbols
  • Synonyms Methanol,(butylnitrosoamino)-, acetate (ester) (9CI); Butylacetoxymethylnitrosamine;N-Butyl-N-(acetoxymethyl)nitrosamine
  • PSA 58.97000
  • LogP 1.29050

Butylnitrosaminomethyl acetate Chemical Properties

IUPAC Name: [Butyl(nitroso)amino]methyl acetate
Synonyms of Butylnitrosaminomethyl acetate (CAS NO.56986-36-8): Acetoxymethylbutylnitrosamine ; Butyl acetoxymethylnitrosamine ; Butyl amine, N-(1-acetoxymethyl)-N-nitroso- ; Methanol, (butylnitrosoamino)-, acetate (ester) ; Methylamine, 1-acetoxy-N-butyl-N-nitroso ; N-(Acetoxy)methyl-N-n-butylnitrosamine ; N-Butyl-N-(acetoxymethyl)nitrosamine ; N-Nitroso-N-(1-acetoxymethyl)butylamine
InChI: InChI=1/C7H14N2O3/c1-3-4-5-9(8-11)6-12-7(2)10/h3-6H2,1-2H3
InChIKey: YMUAXKYTHNCMAS-UHFFFAOYAF
Std. InChI: InChI=1S/C7H14N2O3/c1-3-4-5-9(8-11)6-12-7(2)10/h3-6H2,1-2H3
Std. InChIKey: YMUAXKYTHNCMAS-UHFFFAOYSA-N
CAS NO: 56986-36-8
Molecular Formula: C7H14N2O3
Molecular Weight: 174.1977
Molecular Structure :
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 7
Polar Surface Area: 58.97 Å2
Index of Refraction: 1.468
Molar Refractivity: 44.53 cm3
Molar Volume: 160 cm3
Surface Tension: 36.7 dyne/cm
Density: 1.08 g/cm3
Flash Point: 124.9 °C
Enthalpy of Vaporization: 52.17 kJ/mol
Boiling Point: 282.8 °C at 760 mmHg
Vapour Pressure: 0.00328 mmHg at 25°C

Butylnitrosaminomethyl acetate Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1500mg/kg (1500mg/kg) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH

LIVER: OTHER CHANGES		 Zeitschrift fuer Krebsforschung und Klinische Onkologie. Vol. 91, Pg. 317, 1978.

Butylnitrosaminomethyl acetate Consensus Reports

EPA Genetic Toxicology Program.

Butylnitrosaminomethyl acetate Safety Profile

Moderately toxic by ingestion. Questionable carcinogen with experimental carcinogenic and tumorigenic data. Mutation data reported. When Butylnitrosaminomethyl acetate (CAS NO.56986-36-8) is heated to decomposition, it emits toxic fumes of NOx. See also NITROSAMINES.

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