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| CAS No.: | 764-39-6 |
|---|---|
| Name: | TRANS-2-PENTENAL |
| Article Data: | 32 |
| Molecular Structure: | |
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|
|
| Formula: | C5H8 O |
| Molecular Weight: | 84.1179 |
| Synonyms: | 2-Penten-1-al;g-Methylcrotonaldehyde |
| Density: | 0.824g/cm3 |
| Melting Point: | -101.15°C (estimate) |
| Boiling Point: | 126.8oC at 760 mmHg |
| Flash Point: | 21.9oC |
| Hazard Symbols: | Xi |
| Risk Codes: | 10-36/37/38 |
| Safety: | Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALDEHYDES. |
| PSA: | 17.07000 |
| LogP: | 1.15150 |
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Chemistry
Molecular Structure of 2-Pentenal (764-39-6):
EINECS: 216-414-1
IUPAC Name: (E)-Pent-2-enal
Molecular Formula: C5H8O
Molecular Weight: 84.116420 g/mol
XLogP3-AA: 1
H-Bond Donor: 0
H-Bond Acceptor: 1
Canonical SMILES: CCC=CC=O
Isomeric SMILES: CC/C=C/C=O
InChI: InChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3/b4-3+
InChIKey: DTCCTIQRPGSLPT-ONEGZZNKSA-N
Index of Refraction: 1.413
Molar Refractivity: 25.45 cm3
Molar Volume: 102 cm3
Surface Tension: 24.6 dyne/cm
Density: 0.824 g/cm3
Flash Point: 22.8 °C
Enthalpy of Vaporization: 36.46 kJ/mol
Boiling Point: 126.8 °C at 760 mmHg
Vapour Pressure: 11.5 mmHg at 25 °C
Water Solubility: 1.498e+004 mg/L at 25 °C
Refractive Index: n20/D 1.440-1.446(lit.)
Toxicity Data With Reference
| 1. | msc-ham:lng 300 µmol/L | MUREAV Mutation Research. 244 (1990),153. | ||
| 2. | ipr-mus LD50:244 mg/kg | ZolH## Personal Communication from H. Zollner, Institut fur Biochemie, Der Universitat, Gras, to H. Lau, Tracor Jitco, Inc., October 23, 1975 23OCT75 . |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Safety Information of 2-Pentenal (764-39-6):
Hazard Codes: Xi .gif){kind=small}
Risk Statements: 10-36/37/38
10: Flammable
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 29
29: Do not empty into drains
RIDADR: UN 1989 3/PG 2
WGK Germany: 3
RTECS: SB1560000
F: 10
Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALDEHYDES.
Specification
2-Pentenal (764-39-6) is colorless to yellow clear liquid, known as 2-Penten-1-al ; 3-Ethyl-2-propenal ; 3-Ethylacrolein ; CCRIS 3514 ; FEMA No. 3218 ; gamma-Methylcrotonaldehyde . When heated to decomposition, it yields Carbon monoxide , Carbon dioxide .