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| CAS No.: | 20407-84-5 |
|---|---|
| Name: | TRANS-2-DODECENAL |
| Article Data: | 34 |
| Molecular Structure: | |
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| Formula: | C12H22O |
| Molecular Weight: | 182.306 |
| Synonyms: | 2-Dodecenal,(E)- (8CI);(2E)-2-Dodecenal;(E)-2-Dodecenal;2-trans-Dodecenal;trans-2-Dodecen-1-al;trans-2-Dodecenal; |
| EINECS: | 243-797-2 |
| Density: | 0.837 g/cm3 |
| Melting Point: | 2°C (estimate) |
| Boiling Point: | 263.6 °C at 760 mmHg |
| Flash Point: | 121 °C |
| Solubility: | 3.21mg/L at 20℃ |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 1760 8/PG 3 |
| PSA: | 17.07000 |
| LogP: | 3.88220 |
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Specification
The CAS register number of 2-Dodecenal, (2E)- is 20407-84-5. It also can be called as trans-2-Dodecen-1-al and the IUPAC name about this chemical is (E)-dodec-2-enal. The molecular formula about this chemical is C12H22O and the molecular weight is 182.3. It belongs to the following product categories which include Alphabetical Listings; C-D; Flavors and Fragrances and so on.
Physical properties about 2-Dodecenal, (2E)- are: (1)ACD/LogP: 4.76; (2)ACD/LogD (pH 5.5): 4.76; (3)ACD/LogD (pH 7.4): 4.76; (4)ACD/BCF (pH 5.5): 2457.83; (5)ACD/BCF (pH 7.4): 2457.83; (6)ACD/KOC (pH 5.5): 9301.51; (7)ACD/KOC (pH 7.4): 9301.51; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 9; (10)Polar Surface Area: 17.07Å2; (11)Index of Refraction: 1.444; (12)Molar Refractivity: 57.88 cm3; (13)Molar Volume: 217.5 cm3; (14)Polarizability: 22.94x10-24cm3; (15)Surface Tension: 29.1 dyne/cm; (16)Flash Point: 121 °C; (17)Enthalpy of Vaporization: 50.14 kJ/mol; (18)Boiling Point: 263.6 °C at 760 mmHg; (19)Vapour Pressure: 0.0102 mmHg at 25°C.
Uses of 2-Dodecenal, (2E)-: it can be used to produce dodec-2-enal at temperature of 70 ℃. This reaction will need reagent sodium bromate, catalyst ruthenium trichloride and solvent 1,2-dichloro-ethane, H2O with reaction time of 2.5 hours. The yield is about 80%.
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When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: O=C/C=C/CCCCCCCCC
(2)InChI: InChI=1/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h10-12H,2-9H2,1H3/b11-10+
(3)InChIKey: SSNZFFBDIMUILS-ZHACJKMWBA
(4)Std. InChI: InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h10-12H,2-9H2,1H3/b11-10+
(5)Std. InChIKey: SSNZFFBDIMUILS-ZHACJKMWSA-N