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| CAS No.: | 62488-56-6 |
|---|---|
| Name: | 2,4-Nonadien-1-ol |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C9H16O |
| Molecular Weight: | 140.225 |
| Synonyms: | 2,4-Nonadienol; |
| EINECS: | 263-571-7 |
| Density: | 0.866 g/cm3 |
| Boiling Point: | 218.3 °C at 760 mmHg |
| Flash Point: | 86.9 °C |
| PSA: | 20.23000 |
| LogP: | 2.28130 |
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Specification
This chemical is called 2,4-Nonadien-1-ol, and its CAS registry number is 62488-56-6. With the molecular formula of C9H16O, its molecular weight is 140.22. Additionally, its product category is Alcohol Flavor.
Other characteristics of the 2,4-Nonadien-1-ol can be summarised as followings: (1)ACD/LogP: 2.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.95; (4)ACD/LogD (pH 7.4): 2.95; (5)ACD/BCF (pH 5.5): 103.09; (6)ACD/BCF (pH 7.4): 103.09; (7)ACD/KOC (pH 5.5): 960.86; (8)ACD/KOC (pH 7.4): 960.86; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.472; (14)Molar Refractivity: 45.39 cm3; (15)Molar Volume: 161.8 cm3; (16)Polarizability: 17.99×10-24cm3; (17)Surface Tension: 30.8 dyne/cm; (18)Density: 0.866 g/cm3; (19)Flash Point: 86.9 °C; (20)Enthalpy of Vaporization: 52.88 kJ/mol; (21)Boiling Point: 218.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0269 mmHg at 25°C.
Production method of this chemical: The 2,4-Nonadien-1-ol could be obtained by the reactant of cyclic carbonate of 3-nonene-1,2-diol. This reaction needs the reagent of Pd(PPh3)4, and the solvent of tetrahydrofuran. The yield is 72 %. In addition, this reaction should be taken for 1 hours at the temperature of 70 °C.
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You can still convert the following datas into molecular structure:
1.SMILES: OCC=CC=CCCCC
2.InChI: InChI=1/C9H16O/c1-2-3-4-5-6-7-8-9-10/h5-8,10H,2-4,9H2,1H3
3.InChIKey: NCPWFIVLKCFWSP-UHFFFAOYAM