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| CAS No.: | 3937-56-2 |
|---|---|
| Name: | 1,9-Nonanediol |
| Article Data: | 58 |
| Molecular Structure: | |
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| Formula: | C9H20O2 |
| Molecular Weight: | 160.257 |
| Synonyms: | a,w-Nonanediol;NSC 5416;1,9-Dihydroxynonane; |
| EINECS: | 223-517-5 |
| Density: | 0.931 g/cm3 |
| Melting Point: | 45-47 °C |
| Boiling Point: | 292.4 °C at 760 mmHg |
| Flash Point: | 137 °C |
| Solubility: | 5.7g/L at 20℃ |
| Appearance: | white fused crystalline solid |
| Safety: | 22-24/25 |
| PSA: | 40.46000 |
| LogP: | 1.70170 |
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9-hydroxynonyl-1-triphenylmethylether
- 3937-56-2
1,9-Nonanediol
| Conditions | Yield |
|---|---|
| Stage #1: 9-hydroxynonyl-1-triphenylmethylether With n-butyllithium In hexane at 0℃; Stage #2: With naphthalene; lithium In tetrahydrofuran; hexane at 0 - 20℃; for 20h; | 99% |
- 634902-05-9
1,9-di(trityloxy)nonane
- 3937-56-2
1,9-Nonanediol
| Conditions | Yield |
|---|---|
| With naphthalene; lithium In tetrahydrofuran at -30℃; for 3.5h; | 99% |
- 109027-55-6
9-(triphenylsilyloxy)-1-nonanol
- 3937-56-2
1,9-Nonanediol
| Conditions | Yield |
|---|---|
| With naphthalene; lithium In tetrahydrofuran; methanol at 20℃; for 1h; | 98% |
- 98847-00-8
9-<(2H-tetrahydropyran-2-yl)oxy>nonan-1-ol
- 3937-56-2
1,9-Nonanediol
| Conditions | Yield |
|---|---|
| With copper dichloride In methanol at 20℃; Hydrolysis; | 95% |
| With CuCl2*2H2O In methanol at 20℃; for 1.25h; | 95% |
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate In tetrahydrofuran at 23℃; for 120h; | A n/a B 2% C 92% |
| With sodium tetrahydroborate In tetrahydrofuran at 65℃; for 6h; | A n/a B 6% C 87% |
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride In tetrahydrofuran at 0℃; for 4h; Reflux; | 91% |
| With zirconium(IV) borohydride In tetrahydrofuran at 25℃; for 1h; Reduction; | 90% |
| With samarium diiodide; water; triethylamine In tetrahydrofuran at 20℃; for 18h; Inert atmosphere; | 88% |
- 862249-29-4
1-[dimethyl(phenyl)silyloxy]-9-(triphenylsilyloxy)nonane
- 3937-56-2
1,9-Nonanediol
| Conditions | Yield |
|---|---|
| With naphthalene; lithium In tetrahydrofuran; methanol at 20℃; for 3h; | 79% |
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride multistep reaction, other substrates; | A 74% B 64% |
| With lithium aluminium tetrahydride 1) CH2Cl2; Yield given. Multistep reaction. Yields of byproduct given; | |
| With lithium aluminium tetrahydride Yield given. Multistep reaction. Yields of byproduct given; | |
| With lithium aluminium tetrahydride Yield given. Multistep reaction. Yields of byproduct given; |
| Conditions | Yield |
|---|---|
| With 9-borabicyclo[3.3.1]nonane dimer; dimethylsulfide borane complex Product distribution; | A 71% B 15% |
- 61801-07-8
9-benzylsulfonyloxynonyl benzylsulfonate
- 3937-56-2
1,9-Nonanediol
| Conditions | Yield |
|---|---|
| With 4,4'-di-tert-butylbiphenyl; lithium In tetrahydrofuran at 0℃; for 2.5h; | 67% |
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Specification
The IUPAC name of 1,9-Nonanediol is nonane-1,9-diol. With the CAS registry number 3937-56-2 and EINECS 223-517-5, it is also named as alpha,omega-Nonanediol. The product's categories are alpha,omega-Alkanediols; alpha,omega-Bifunctional Alkanes; Monofunctional & alpha,omega-Bifunctional Alkanes; Linear Hydrocarbon Series. It is white fused crystalline solid which is easily soluble in alcohol, ether, soluble in hot benzene and slightly soluble in water. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 8.51; (6)ACD/BCF (pH 7.4): 8.51; (7)ACD/KOC (pH 5.5): 161.18; (8)ACD/KOC (pH 7.4): 161.18; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 46.81 cm3; (15)Molar Volume: 172.1 cm3; (16)Surface Tension: 36.7 dyne/cm; (17)Enthalpy of Vaporization: 61.71 kJ/mol; (18)Vapour Pressure: 0.000196 mmHg at 25°C; (19)Rotatable Bond Count: 8; (20)Exact Mass: 160.14633; (21)MonoIsotopic Mass: 160.14633; (22)Topological Polar Surface Area: 40.5; (23)Heavy Atom Count: 11; (24)Complexity: 56.6.
Preparation of 1,9-Nonanediol: It can be obtained by nonanedioic acid. This reaction which is a kind of Reduction needs reagent Zr(BH4)4 and solvent tetrahydrofuran at temperature of 25 °C. The reaction time is 1 hours. The yield is 90%.
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Uses of 1,9-Nonanediol: It is in organic synthesis. It also can react with 3,4-dihydro-2H-pyran and 9-(tetrahydropyrane-2-yloxy)nonan-1-ol. This reaction needs reagent p-toluenesulfonic acid and solvent CH2Cl2. The reaction time is 1.5 hours. The yield is 60%.
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People can use the following data to convert to the molecule structure.
1. SMILES:OCCCCCCCCCO
2. InChI:InChI=1/C9H20O2/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2
3. InChIKey:ALVZNPYWJMLXKV-UHFFFAOYAQ