Product Name

  • Name

    1,1-DICYANOETHYL ACETATE

  • EINECS
  • CAS No. 7790-01-4
  • Article Data31
  • CAS DataBase
  • Density 1.171g/cm3
  • Solubility
  • Melting Point 69-71 °C(lit.)
  • Formula C6H6 N2 O2
  • Boiling Point 245.4°C at 760 mmHg
  • Molecular Weight 138.126
  • Flash Point 103.4°C
  • Transport Information
  • Appearance
  • Safety Poison by ingestion and skin contact. Moderately toxic by inhalation. When heated to decomposition it emits toxic fumes of NOx and CN−. See also NITRILES.
  • Risk Codes R23/24/25; R36/37/38
  • Molecular Structure Molecular Structure of 7790-01-4 (1,1-DICYANOETHYL ACETATE)
  • Hazard Symbols 1763912
  • Synonyms Propanedinitrile,(acetyloxy)methyl- (9CI); Tartrononitrile, methyl-, acetate (6CI,7CI);Tartrononitrile, methyl-, acetate (ester) (8CI); 1,1-Dicyanoethyl acetate;1-Acetoxy-1,1-dicyanoethane; 2-Acetoxy-2-methylmalononitrile;2-Acetoxyisosuccinodinitrile; NSC 6394; a,a-Dicyanoethyl acetate
  • PSA 73.88000
  • LogP 0.35536

Methylacetoxymalonitrile Chemical Properties

The Molecular Structure of Methylacetoxymalonitrile (CAS NO.7790-01-4):
Molecular Formula: C6H6N2O2
Molecular Weight: 138.124040 g/mol
IUPAC: 1,1-dicyanoethyl acetate
Density: 1.171 g/cm3
Flash Point: 103.4 °C
Enthalpy of Vaporization: 48.25 kJ/mol
Boiling Point: 245.4 °C at 760 mmHg
Vapour Pressure: 0.0288 mmHg at 25°C
ACD/LogP: -0.37 
ACD/LogD (pH 5.5): -0.37
ACD/LogD (pH 7.4): -0.37
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 14.96
ACD/KOC (pH 7.4): 14.96 
Polar Surface Area: 73.88Å2
Index of Refraction: 1.445
Molar Refractivity: 31.41 cm3
Molar Volume: 117.8 cm3
Surface Tension: 46.1 dyne/cm 

Methylacetoxymalonitrile Toxicity Data With Reference

1.    

orl-rat LDLo:120 mg/kg

     AIHAAP    American Industrial Hygiene Association Journal. 23 (1962),95.
2.    

ihl-rat LC50:597 mg/m3/4H

     AMIHBC    AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),573.
3.    

orl-rbt LDLo:18 mg/kg

     AMIHBC    AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),573.
4.    

ihl-rbt LCLo:108 ppm/4H

     AMIHBC    AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),573.
5.    

skn-rbt LD50:110 mg/kg

     AIHAAP    American Industrial Hygiene Association Journal. 23 (1962),95.

Methylacetoxymalonitrile Consensus Reports

Cyanide and its compounds are on the Community Right-To-Know List.

Methylacetoxymalonitrile Safety Profile

Poison by ingestion and skin contact. Moderately toxic by inhalation. When heated to decomposition it emits toxic fumes of NOx and CN−. See also NITRILES.
Hazard Codes:ToxicT
Risk Statements: 23/24/25-36/37/38 
R23/24/25: Toxic by inhalation, in contact with skin and if swallowed
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 22-26-36/37/39-45 
S22: Do not breathe dust
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 3439 6.1/PG 2
WGK Germany: 3
RTECS: WW9100000
HazardClass: 6.1(a)
PackingGroup: II

Methylacetoxymalonitrile Specification

 Methylacetoxymalonitrile (CAS NO.7790-01-4) can also be called as (Acetyloxy)methylpropanedinitrile ; 1,1-Dicyanoethyl acetate , 1,1-Dikyanethylester kyseliny octove ; 1,1-Dikyanethylester kyseliny octove [Czech] ; 1-Acetoxxy-1,1-dicyanoethane ; 1-Acetoxy-1,1-dicyanoethane ; 2-Acetoxyisosuccinodinitrile ; 4-03-00-01143 (Beilstein Handbook Reference) ; AI3-24628 ; Acetic acid 1,1-dicyanoethyl ester ; BRN 1763912 ; EINECS 232-195-5 ; Malononitrile, hydroxymethyl-, acetate (ester) ; Methylacetoxymalononitrile ; NSC 6394 ; alpha,alpha-Dicyanoethyl acetate ; 1,1-Dicyanoethyl acetate ; Propanedinitrile, (acetyloxy)methyl- (9CI) ; Tartrononitrile, methyl-, acetate (ester) .

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