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| CAS No.: | 2463-77-6 |
|---|---|
| Name: | 2-Undecenal |
| Molecular Structure: | |
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| Formula: | C11H20O |
| Molecular Weight: | 168.279 |
| Synonyms: | 2-Undecen-1-al;2-undecenal, (2E)-;Hendecenal; |
| EINECS: | 219-564-6 |
| Density: | 0.837 g/cm3 |
| Melting Point: | -12°C (estimate) |
| Boiling Point: | 244.805 °C at 760 mmHg |
| Flash Point: | 108.641 °C |
| Appearance: | Colourless to very pale straw coloured liquid |
| Hazard Symbols: | R36/38:Irritating to eyes and skin.; |
| Risk Codes: | 36/38 |
| Safety: | 26-36 |
| PSA: | 17.07000 |
| LogP: | 3.49210 |
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Specification
The 2-Undecenal with the cas number 2463-77-6 is also called 2-Undecen-1-al. The IUPAC name is (E)-undec-2-enal. Its EINECS registry number is 219-564-6. The molecular formula is C11H20O. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 4.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.23; (4)ACD/LogD (pH 7.4): 4.23; (5)ACD/BCF (pH 5.5): 969.9; (6)ACD/BCF (pH 7.4): 969.9; (7)ACD/KOC (pH 5.5): 4780.78; (8)ACD/KOC (pH 7.4): 4780.78; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.442; (14)Molar Refractivity: 53.25 cm3; (15)Molar Volume: 201 cm3; (16)Polarizability: 21.11×10-24cm3; (17)Surface Tension: 28.8 dyne/cm; (18)Enthalpy of Vaporization: 48.19 kJ/mol; (19)Vapour Pressure: 0.0297 mmHg at 25°C.
While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C/C=C/CCCCCCCC
(2)InChI: InChI=1/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3/b10-9+
(3)InChIKey: PANBRUWVURLWGY-MDZDMXLPBX