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| CAS No.: | 628-99-9 |
|---|---|
| Name: | 2-Nonanol |
| Molecular Structure: | |
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| Formula: | C9H20O |
| Molecular Weight: | 144.257 |
| Synonyms: | 1-Methyl-1-octanol; |
| EINECS: | 211-065-1 |
| Density: | 0.824 g/cm3 |
| Melting Point: | −36-−35 °C(lit. ) |
| Boiling Point: | 195.5 °C at 760 mmHg |
| Flash Point: | 82.2 °C |
| Solubility: | <577mg/L(25 oC) |
| Appearance: | clear yellowish liquid |
| Hazard Symbols: |
 Xi,  F,  C
|
| Risk Codes: | 36/38-34-11 |
| Safety: | 26-36-45-36/37/39-16 |
| PSA: | 20.23000 |
| LogP: | 2.72770 |
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Specification
The 2-Nonanol, with the CAS registry number of 628-99-9, is also known as 1-Methyl-1-octanol and n-Nonan-2-ol. It is a simple alcohol. It has the odor of cucumber, and has been identified in oysters. Its EINECS registry number is 211-065-1. This chemical's molecular formula is C9H20O and molecular weight is 144.25. What's more, its IUPAC name is Nonan-2-ol. In addition, it should be stored in dry, cool, airtight place. It can not contact with oxidant, otherwise it would decompose.
Physical properties about are: (1)ACD/LogP: 3.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.35; (4)ACD/LogD (pH 7.4): 3.35; (5)ACD/BCF (pH 5.5): 206.29; (6)ACD/BCF (pH 7.4): 206.29; (7)ACD/KOC (pH 5.5): 1578.75; (8)ACD/KOC (pH 7.4): 1578.75; (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: 1.43; (14)Molar Refractivity: 45.23 cm3; (15)Molar Volume: 174.9 cm3; (16)Polarizability: 17.93×10-24 cm3; (17)Surface Tension: 28.5 dyne/cm; (18)Density: 0.824 g/cm3; (19)Flash Point: 82.2 °C; (20)Enthalpy of Vaporization: 50.24 kJ/mol; (21)Boiling Point: 195.5 °C at 760 mmHg; (22)Melting Point: −36-−35 °C(lit. ); (23)Vapour Pressure: 0.108 mmHg at 25°C.
Preparation: this chemical is prepared by Nonan-2-one. The reaction needs reagent [Biphenyl-2-O-Al(OiPr)-N(SO2C8H17)-2']. Meanwhile, it needs solvents CH2Cl2 and Propan-2-ol. The reaction time is 5 hours with reaction temperature of 25 °C. The yield is about 97%.
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Uses: (1) it can be used as solvents, organic synthesis intermediates and spices. (2) it is used to produce other chemicals. For example, it is used to produce Nonan-2-one.
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This reaction needs reagent Jones reagent and solvent Acetone. Other condition of this reaction is reaction time of 2.5 hours at 5 °C. The yield is about 92%.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes and skin. In addition, this chemical may destroy living tissue on contact. During 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. Besides, this chemical is highly flammable, it may catch fire in contact with an ignition source. Hence, keep it away from sources of ignition.
You can still convert the following datas into molecular structure:
(1) SMILES: OC(CCCCCCC)C
(2) InChI: InChI=1/C9H20O/c1-3-4-5-6-7-8-9(2)10/h9-10H,3-8H2,1-2H3
(3) InChIKey: NGDNVOAEIVQRFH-UHFFFAOYAZ