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Cas Database |
| Name |
Piperonal diethyl acetal |
EINECS | 254-956-0 |
| CAS No. | 40527-42-2 | Density | 1.141 g/cm3 |
| PSA | 36.92000 | LogP | 2.48690 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H16 O4 | Boiling Point | 276.7 °C at 760 mmHg |
| Molecular Weight | 224.257 | Flash Point | 98.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating fumes. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Piperonal,diethyl acetal (6CI); Toluene, a,a-diethoxy-3,4-methylenedioxy-(5CI); NSC 20028 |
Article Data | 10 |
Piperonal diethyl acetal Chemical Properties
Product Name: Piperonal diethyl acetal (CAS NO.40527-42-2)
Molecular Formula: C12H16O4
Molecular Weight: 224.25g/mol
Mol File: 40527-42-2.mol
Einecs: 254-956-0
Boiling point: 276.7 °C at 760 mmHg
Flash Point: 98.9 °C
Density: 1.141 g/cm3
Surface Tension: 40.8 dyne/cm
Enthalpy of Vaporization: 49.45 kJ/mol
Vapour Pressure: 0.00796 mmHg at 25°C
XLogP3-AA: 2.3
H-Bond Donor: 0
H-Bond Acceptor: 4
Structure Descriptors of Piperonal diethyl acetal (CAS NO.40527-42-2):
IUPAC Name: 5-(diethoxymethyl)-1,3-benzodioxole
Canonical SMILES: CCOC(C1=CC2=C(C=C1)OCO2)OCC
InChI: InChI=1S/C12H16O4/c1-3-13-12(14-4-2)9-5-6-10-11(7-9)16-8-15-10/h5-7,12H,3-4,8H2,1-2H3
InChIKey: YDQLGNDCYHZHEE-UHFFFAOYSA-N
Piperonal diethyl acetal Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | intraperitoneal | 500mg/kg (500mg/kg) | "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 7, Pg. 396, 1955. |
Piperonal diethyl acetal Consensus Reports
Reported in EPA TSCA Inventory.
Piperonal diethyl acetal Safety Profile
Moderately toxic by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating fumes.
Piperonal diethyl acetal Specification
Piperonal diethyl acetal ,its CAS NO. is 40527-42-2,the synonyms is AI3-19955 ; BRN 0085612 ; EINECS 254-956-0 ; Heliotropin DEA ; NSC 20028 ; 1,3-Benzodioxole, 5-(diethoxymethyl)- ; 5-Diethoxymethyl-1,3-benzodioxole .
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