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Cas Database |
| Name |
4-Pentenal |
EINECS | N/A |
| CAS No. | 2100-17-6 | Density | 0,852 g/cm3 |
| PSA | 17.07000 | LogP | 1.15150 |
| Solubility | Immiscible with water. | Melting Point |
-89.95°C |
| Formula | C5H8 O | Boiling Point | 101-105°C |
| Molecular Weight | 84.1179 | Flash Point | 7°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by ingestion, inhalation, and skin contact. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALDEHYDES. | Risk Codes | 10-20/21/22 |
| Molecular Structure |
|
Hazard Symbols | R10:Flammable.; R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; |
| Synonyms |
Pent-4-en-1-al |
Article Data | 150 |
4-Pentenal Chemical Properties
Molecular Formula: C5H8O
Molar mass: 84.12 g/mol
EINECS: 218-265-8
Density: 0.812 g/cm3
Flash Point: 7°C
Index of Refraction: 1.4
Boiling Point: 96.8 °C at 760 mmHg
Vapour Pressure: 42.9 mmHg at 25°C
Sensitive: Air Sensitive
Structure of 4-Pentenal (2100-17-6):
XLogP3-AA: 0.8
H-Bond Donor: 0
H-Bond Acceptor: 1
Systematic Name of 4-Pentenal (2100-17-6): Pent-4-enal
SMILES: O=CCC\C=C
InChI: InChI=1/C5H8O/c1-2-3-4-5-6/h2,5H,1,3-4H2
InChIKey: QUMSUJWRUHPEEJ-UHFFFAOYAU
Std. InChI: InChI=1S/C5H8O/c1-2-3-4-5-6/h2,5H,1,3-4H2
Std. InChIKey: QUMSUJWRUHPEEJ-UHFFFAOYSA-N
4-Pentenal Toxicity Data With Reference
| 1. | orl-rat LD50:620 mg/kg | AIHAAP American Industrial Hygiene Association Journal. 23 (1962),95. | ||
| 2. | ihl-rat LCLo:250 ppm/4H | AIHAAP American Industrial Hygiene Association Journal. 23 (1962),95. | ||
| 3. | skn-rbt LD50:1590 mg/kg | AIHAAP American Industrial Hygiene Association Journal. 23 (1962),95. |
4-Pentenal Consensus Reports
Reported in EPA TSCA Inventory.
4-Pentenal Safety Profile
Moderately toxic by ingestion, inhalation, and skin contact. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALDEHYDES.
4-Pentenal Specification
4-Pentenal (2100-17-6) also can be called Pent-4-enal .
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