Product Name

  • Name

    Acetic acid 3-allyloxyallyl ester

  • EINECS
  • CAS No. 64046-61-3
  • Density 0.981g/cm3
  • Solubility
  • Melting Point
  • Formula C8H12 O3
  • Boiling Point 205.4°Cat760mmHg
  • Molecular Weight 156.20
  • Flash Point 77.2°C
  • Transport Information
  • Appearance
  • Safety Poison by skin contact. Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
  • Risk Codes
  • Molecular Structure Molecular Structure of 64046-61-3 (Acetic acid 3-allyloxyallyl ester)
  • Hazard Symbols
  • Synonyms 2-Propen-1-ol,3-(2-propenyloxy)-, acetate (9CI)
  • PSA 35.53000
  • LogP 1.26580

Acetic acid, 3-allyloxyallyl ester Chemical Properties

Molecular Formula: C8H12O3
Molecular Weight: 156.179080 g/mol
The Molecular Structure of Acetic acid, 3-allyloxyallyl ester (CAS NO.64046-61-3):
Classification: Skin / Eye Irritant 
Density: 0.981 g/cm3
Flash Point: 77.2 °C
Enthalpy of Vaporization: 44.16 kJ/mol
Boiling Point: 205.4 °C at 760 mmHg
Vapour Pressure: 0.251 mmHg at 25°C
IUPAC: [(E)-3-prop-2-enoxyprop-2-enyl] acetate 
Nominal Mass: 156 Da
Average Mass: 156.1791 Da
Monoisotopic Mass: 156.078644 Da
ACD/LogP: 1.40
ACD/LogD (pH 5.5): 1.4
ACD/LogD (pH 7.4): 1.4
ACD/BCF (pH 5.5): 6.82
ACD/BCF (pH 7.4): 6.82
ACD/KOC (pH 5.5): 137.5
ACD/KOC (pH 7.4): 137.5 
Polar Surface Area: 35.53Å2
Index of Refraction: 1.445
Molar Refractivity: 42.41 cm3
Molar Volume: 159.1 cm3
Surface Tension: 29.5 dyne/cm
InChI:InChI=1/C8H12O3/c1-3-5-10-6-4-7-11-8(2)9/h3-4,6H,1,5,7H2,2H3/b6-4+
Smiles: C(=C\OCC=C)\COC(C)=O

Acetic acid, 3-allyloxyallyl ester Toxicity Data With Reference

1.    

orl-rat LD50:3730 mg/kg

     TXAPA9    Toxicology and Applied Pharmacology. 28 (1974),313.
2.    

skn-rbt LD50:350 mg/kg

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

Acetic acid, 3-allyloxyallyl ester Safety Profile

Poison by skin contact. Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.

Acetic acid, 3-allyloxyallyl ester Specification

 Acetic acid, 3-allyloxyallyl ester (CAS NO.64046-61-3) is also called as 3-Allyloxyallyl acetate ; 3-Allyloxyallylester kyseliny octove ; 3-Allyloxyallylester kyseliny octove [Czech] .

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