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Propionaldehyde dicrotyl acetal

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  • Name Propionaldehyde dicrotyl acetal
  • EINECSN/A
  • CAS No. 5749-78-0
  • Density0.875g/cm3
  • PSA18.46000
  • LogP2.90790
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC11H20O2
  • Boiling Point226.2°Cat760mmHg
  • Molecular Weight184.31
  • Flash Point69.5°C
  • Transport InformationN/A
  • AppearanceN/A
  • SafetyModerately toxic by ingestion and skin contact. Low toxicity by inhalation. When heated to decomposition it emits acrid smoke and irritating vapors.
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 5749-78-0 (Propanal bis(2-butenyl)acetal)
  • Hazard SymbolsN/A
  • SynonymsN/A

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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