Product Name

  • Name

    Propanal bis(2-butenyl)acetal

  • EINECS
  • CAS No. 5749-78-0
  • Density 0.875g/cm3
  • Solubility
  • Melting Point
  • Formula C11H20O2
  • Boiling Point 226.2°Cat760mmHg
  • Molecular Weight 184.31
  • Flash Point 69.5°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by ingestion and skin contact. Low toxicity by inhalation. When heated to decomposition it emits acrid smoke and irritating vapors.
  • Risk Codes
  • Molecular Structure Molecular Structure of 5749-78-0 (Propanal bis(2-butenyl)acetal)
  • Hazard Symbols
  • Synonyms Propionaldehyde,dicrotyl acetal;1,1-bis-but-2-enyloxy-propane;propionaldehyde di-but-2-enyl acetal;Dicrotylpropional;Propionaldehyd-dicrotylacetal;
  • PSA 18.46000
  • LogP 2.90790

Propionaldehyde dicrotyl acetal Chemical Properties

Molecule structure of Propionaldehyde dicrotyl acetal (CAS NO.5749-78-0):

IUPAC Name: (E)-1-[1-[(E)-But-2-enoxy]propoxy]but-2-ene 
Molecular Weight: 184.2753 g/mol
Molecular Formula: C11H20O2 
Density: 0.875 g/cm3 
Boiling Point: 226.2 °C at 760 mmHg 
Flash Point: 69.5 °C
Index of Refraction: 1.45
Molar Refractivity: 56.57 cm3
Molar Volume: 210.4 cm3
Polarizability: 22.42×10-24 cm3
Surface Tension: 27.2 dyne/cm 
Enthalpy of Vaporization: 44.39 kJ/mol
Vapour Pressure: 0.124 mmHg at 25 °C
XLogP3-AA: 2.7 
H-Bond Acceptor: 2
Rotatable Bond Count: 7
Exact Mass: 184.14633
MonoIsotopic Mass: 184.14633
Topological Polar Surface Area: 18.5
Heavy Atom Count: 13
Complexity: 134
Canonical SMILES: CCC(OCC=CC)OCC=CC
Isomeric SMILES: CCC(OC/C=C/C)OC/C=C/C
InChI: InChI=1S/C11H20O2/c1-4-7-9-12-11(6-3)13-10-8-5-2/h4-5,7-8,11H,6,9-10H2,1-3H3/b7-4+,8-5+
InChIKey of Propionaldehyde dicrotyl acetal (CAS NO.5749-78-0): IGJKAEWELWCXNL-NSLJXJERSA-N

Propionaldehyde dicrotyl acetal Toxicity Data With Reference

1.    

orl-rat LD50:2140 µL/kg

    AIHAAP    American Industrial Hygiene Association Journal. 30 (1969),470.
2.    

ihl-rat LCLo:2000 ppm/4H

    AIHAAP    American Industrial Hygiene Association Journal. 30 (1969),470.
3.    

skn-rbt LD50:3540 µL/kg

    AIHAAP    American Industrial Hygiene Association Journal. 30 (1969),470.

Propionaldehyde dicrotyl acetal Safety Profile

Moderately toxic by ingestion and skin contact. Low toxicity by inhalation. When heated to decomposition it emits acrid smoke and irritating vapors.

Propionaldehyde dicrotyl acetal Specification

 Propionaldehyde dicrotyl acetal (CAS NO.5749-78-0) is also named as 2-Butene, 1,1'-(propylidenebis(oxy))bis- (9CI) ; Propionaldehyde, di-2-butenyl acetate (7CI,8CI) .

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