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| Name |
4,5-Epoxy-2-pentenal |
EINECS | N/A |
| CAS No. | 64011-46-7 | Density | 1.0423 (rough estimate) |
| PSA | 29.60000 | LogP | 0.14030 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C5H6 O2 | Boiling Point | 123.59°C (rough estimate) |
| Molecular Weight | 98.11 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by ingestion and skin contact. A severe skin and eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4,5-Epoxy-2-pentenal;2-Pentenal,4,5-epoxy; |
4,5-Epoxy-2-pentenal Chemical Properties
Molecule structure of 4,5-Epoxy-2-pentenal (CAS NO.64011-46-7) :
IUPAC Name: (E)-3-(oxiran-2-yl)prop-2-enal
Molecular Weight: 98.09994 g/mol
Molecular Formula: C5H6O2
Density: 1.266 g/cm3
Boiling Point: 208.4 °C at 760 mmHg
Flash Point: 97.6 °C
Molar Volume: 77.4 cm3
Polarizability: 10.6*10-24 cm3
Surface Tension: 50.2 dyne/cm
Enthalpy of Vaporization: 44.46 kJ/mol
Vapour Pressure: 0.215 mmHg at 25 °C
XLogP3-AA: -0.4
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Exact Mass: 98.036779
MonoIsotopic Mass: 98.036779
Topological Polar Surface Area: 29.6
Heavy Atom Count: 7
Complexity: 96.3
Canonical SMILES: C1C(O1)C=CC=O
Isomeric SMILES: C1C(O1)/C=C/C=O
InChI: InChI=1S/C5H6O2/c6-3-1-2-5-4-7-5/h1-3,5H,4H2/b2-1+
InChIKey: MCZFDRQUPJCHON-OWOJBTEDSA-N
4,5-Epoxy-2-pentenal Toxicity Data With Reference
| 1. | skn-rbt 2 mg/24H SEV | 85JCAE Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,771. | ||
| 2. | eye-rbt 50 µg/24H SEV | 85JCAE Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,771. | ||
| 3. | orl-rat LD50:62 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 28 (1974),313. | ||
| 4. | ihl-rat LCLo:600 ppm/4H | TXAPA9 Toxicology and Applied Pharmacology. 28 (1974),313. | ||
| 5. | skn-rbt LD50:40 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 28 (1974),313. |
4,5-Epoxy-2-pentenal Safety Profile
Poison by ingestion and skin contact. A severe skin and eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
4,5-Epoxy-2-pentenal Specification
4,5-Epoxy-2-pentenal (CAS NO.64011-46-7) is also called 3-Oxiranylpropenal ; 4,5-Epoxy-2-penten-1-al .
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