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| CAS No.: | 21964-44-3 |
|---|---|
| Name: | 1-Nonen-3-ol |
| Article Data: | 46 |
| Molecular Structure: | |
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| Formula: | C9H18O |
| Molecular Weight: | 142.241 |
| Synonyms: | 1-Vinylheptanol; |
| EINECS: | 244-686-1 |
| Density: | 0.836 g/cm3 |
| Melting Point: | -7°C (estimate) |
| Boiling Point: | 193.2 °C at 760 mmHg |
| Flash Point: | 69.5 °C |
| Appearance: | CLEAR COLOURLESS LIQUID |
| Safety: | 24/25 |
| PSA: | 20.23000 |
| LogP: | 2.50370 |
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Specification
The 1-Nonen-3-ol, with the CAS registry number of 21964-44-3, is also known as 1-Vinylheptanol. Its EINECS registry number is 244-686-1. This chemical's molecular formula is C9H18O and molecular weight is 142.24. What's more, its IUPAC name is Non-1-en-3-ol. In addition, it must be stored in airtight containers and placed in a dry, cool place. When you are using this chemical, you should avoid contacting with skin and eyes.
Physical properties about the 1-Nonen-3-ol are: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.17; (4)ACD/LogD (pH 7.4): 3.17; (5)ACD/BCF (pH 5.5): 151.92; (6)ACD/BCF (pH 7.4): 151.92; (7)ACD/KOC (pH 5.5): 1268.24; (8)ACD/KOC (pH 7.4): 1268.24; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.441; (14)Molar Refractivity: 44.96 cm3; (15)Molar Volume: 170 cm3; (16)Surface Tension: 28.6 dyne/cm; (17)Density: 0.836 g/cm3; (18)Flash Point: 69.5 °C; (19)Enthalpy of Vaporization: 49.97 kJ/mol; (20)Boiling Point: 193.2 °C at 760 mmHg; (21)Vapour Pressure: 0.124 mmHg at 25 °C.
Preparation: this chemical is prepared by reaction of Propenal with Hexylmagnesium bromide. The reaction needs solvent Diethyl ether. The reaction time is 2 h with reaction temperature of 0 °C. The yield is about 86 %.
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Uses: it is used to produce other chemicals. For example, it is used to produce 1-Bromo-non-2t-ene. This reaction needs reagent PBr3. Meanwhile, it needs solvent Diethyl ether. The reaction temperature is 0 °C. The yield is about 34 %.
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You can still convert the following datas into molecular structure:
(1) SMILES: OC(/C=C)CCCCCC
(2) InChI: InChI=1/C9H18O/c1-3-5-6-7-8-9(10)4-2/h4,9-10H,2-3,5-8H2,1H3
(3) InChIKey: DWUPJMHAPOQKGJ-UHFFFAOYAR