- Propionaldehyde
- Propionaldehyde dicrotyl acetal
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| Name |
Propionaldehyde dicrotyl acetal |
EINECS | N/A |
| CAS No. | 5749-78-0 | Density | 0.875g/cm3 |
| PSA | 18.46000 | LogP | 2.90790 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C11H20O2 | Boiling Point | 226.2°Cat760mmHg |
| Molecular Weight | 184.31 | Flash Point | 69.5°C |
| Transport Information | N/A | Appearance | N/A |
| 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 | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Propionaldehyde,dicrotyl acetal;1,1-bis-but-2-enyloxy-propane;propionaldehyde di-but-2-enyl acetal;Dicrotylpropional;Propionaldehyd-dicrotylacetal; |
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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