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| CAS No.: | 1120-06-5 |
|---|---|
| Name: | 2-Decanol |
| Molecular Structure: | |
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|
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| Formula: | C10H22O |
| Molecular Weight: | 158.284 |
| Synonyms: | (?à)-2-Decanol;2-Hydroxydecane;NSC67349; |
| EINECS: | 214-296-6 |
| Density: | 0.826 g/cm3 |
| Melting Point: | -6--4 °C(lit.) |
| Boiling Point: | 212.2 °C at 760 mmHg |
| Flash Point: | 85 °C |
| Solubility: | Not miscible in water. |
| Appearance: | clear colourless liquid |
| Hazard Symbols: |
 Xi, N, Xn, F
|
| Risk Codes: | 36-51/53-15-10 |
| Safety: | 26-61-43-7/8 |
| PSA: | 20.23000 |
| LogP: | 3.11780 |
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Specification
The 2-Decanol is an organic compound with the formula C10H22O. The systematic name of this chemical is decan-2-ol. With the CAS registry number 1120-06-5, it is also named as 2-Hydroxydecane. Besides, it is clear colourless liquid, which should be stored in a closed cool and dry place.
Physical properties about 2-Decanol are: (1)ACD/LogP: 3.88; (2)ACD/LogD (pH 5.5): 3.88; (3)ACD/LogD (pH 7.4): 3.88; (4)ACD/BCF (pH 5.5): 522.77; (5)ACD/BCF (pH 7.4): 522.77; (6)ACD/KOC (pH 5.5): 3071.62; (7)ACD/KOC (pH 7.4): 3071.62; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.434; (13)Molar Refractivity: 49.87 cm3; (14)Molar Volume: 191.4 cm3; (15)Polarizability: 19.77×10-24cm3; (16)Surface Tension: 28.9 dyne/cm; (17)Density: 0.826 g/cm3; (18)Flash Point: 85 °C; (19)Enthalpy of Vaporization: 52.16 kJ/mol; (20)Boiling Point: 212.2 °C at 760 mmHg; (21)Vapour Pressure: 0.0393 mmHg at 25°C.
Preparation: this chemical can be prepared by octyloxirane. This reaction will need reagents LiAlH4 and diethyl ether.
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Uses of 2-Decanol: it can be used to produce sulfuric acid mono-(1-methyl-nonylester); sodium-salt at temperature of 20 °C. It will need reagents NaH, Et3N*SO3 and solvent dioxane with reaction time of 1 hour. The yield is about 70%.
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When you are using this chemical, please be cautious about it as the following:
It is flammable and toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes. It contacts with water liberates extremely flammable gases. When you are using it, avoid release to the environment. Refer to special instructions / safety data sheets. In case of fire use ... (there follows the type of fire-fighting equipment to be used).
You can still convert the following datas into molecular structure:
(1)SMILES: OC(CCCCCCCC)C
(2)InChI: InChI=1/C10H22O/c1-3-4-5-6-7-8-9-10(2)11/h10-11H,3-9H2,1-2H3
(3)InChIKey: ACUZDYFTRHEKOS-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C10H22O/c1-3-4-5-6-7-8-9-10(2)11/h10-11H,3-9H2,1-2H3
(5)Std. InChIKey: ACUZDYFTRHEKOS-UHFFFAOYSA-N