Product Name

  • Name

    3-ALLYLOXYPROPIONITRILE

  • EINECS
  • CAS No. 3088-44-6
  • Article Data12
  • CAS DataBase
  • Density 0.907g/cm3
  • Solubility
  • Melting Point
  • Formula C6H9 N O
  • Boiling Point 204.4°Cat760mmHg
  • Molecular Weight 111.144
  • Flash Point 82.9°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by ingestion and intraperitoneal routes. A skin and eye irritant. See also NITRILES and ALLYL COMPOUNDS. When heated to decomposition it emits toxic fumes of NOx and CN.
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 3088-44-6 (3-ALLYLOXYPROPIONITRILE)
  • Hazard Symbols
  • Synonyms Propanenitrile,3-(2-propenyloxy)- (9CI); Propionitrile, 3-(allyloxy)- (6CI,7CI,8CI);2-Cyanoethyl allyl ether; 3-(2-Propenyloxy)propionitrile;3-(Allyloxy)propionitrile; Allyl 2-cyanoethyl ether; Allyl b-cyanoethyl ether; NSC 2291
  • PSA 33.02000
  • LogP 1.10268

3-Allyloxypropionitrile Chemical Properties

Molecule structure of 3-Allyloxypropionitrile (CAS NO.3088-44-6) :

IUPAC Name: 3-prop-2-enoxypropanenitrile 
Molecular Weight: 111.14176 g/mol
Molecular Formula: C6H9NO 
Density: 0.907 g/cm3 
Boiling Point: 204.4 °C at 760 mmHg
Flash Point: 82.9 °C
Index of Refraction: 1.423
Molar Refractivity: 31.23 cm3
Molar Volume: 122.4 cm3
Polarizability: 12.38*10-24 cm3
Surface Tension: 30.5 dyne/cm
Enthalpy of Vaporization: 44.06 kJ/mol 
Vapour Pressure: 0.264 mmHg at 25 °C
XLogP3-AA: 0.4
H-Bond Acceptor: 2
Rotatable Bond Count: 4
Exact Mass: 111.068414
MonoIsotopic Mass: 111.068414
Topological Polar Surface Area: 33
Heavy Atom Count: 8
Complexity: 100
Canonical SMILES: C=CCOCCC#N
InChI: InChI=1S/C6H9NO/c1-2-5-8-6-3-4-7/h2H,1,3,5-6H2
InChIKey: IXXSWIVBWMKRHZ-UHFFFAOYSA-N
Product Categories: monomer

3-Allyloxypropionitrile Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H MLD

    85JCAE    Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,917.
2.    

eye-rbt 500 mg/24H MLD

    85JCAE    Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,917.
3.    

orl-rat LD50:1300 µL/kg

    TXAPA9    Toxicology and Applied Pharmacology. 28 (1974),313.
4.    

ipr-mus LDLo:500 mg/kg

    CBCCT*    “Summary Tables of Biological Tests” National Research Council Chemical-Biological Coordination Center. 4 (1952),380.

3-Allyloxypropionitrile Consensus Reports

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

3-Allyloxypropionitrile Safety Profile

Moderately toxic by ingestion and intraperitoneal routes. A skin and eye irritant. See also NITRILES and ALLYL COMPOUNDS. When heated to decomposition it emits toxic fumes of NOx and CN.
Risk Statements: 36/37/38 
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36/37/39 
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

3-Allyloxypropionitrile Specification

 3-Allyloxypropionitrile (CAS NO.3088-44-6) is also called 2-Cyanoethyl allyl ether ; 3-Allyloxypropannitril ; 4-03-00-00710 (Beilstein Handbook Reference) ; AI3-13078 ; Allyl 2-cyanoethyl ether ; Allyl beta-cyanoethyl ether ; BRN 1744073 ; SC 2291 ; Propionitrile, beta-allyloxy- ; Propanenitrile, 3-(2-propenyloxy)- (9CI) ; Propionitrile, 3-allyloxy- . 3-Allyloxypropionitrile (CAS NO.3088-44-6) is moderate toxic. It is flammable. It will produce toxic oxides of nitrogen and cyanide fumes when buring. So the storage environment should be ventilate, low-temperature and dry. Keep 3-Allyloxypropionitrile (CAS NO.3088-44-6) separate from raw materials of food.

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