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| CAS No.: | 696-71-9 |
|---|---|
| Name: | Cyclooctanol |
| Article Data: | 216 |
| Molecular Structure: | |
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|
|
| Formula: | C8H16O |
| Molecular Weight: | 128.214 |
| Synonyms: | Cyclooctylalcohol;NSC 60162; |
| EINECS: | 211-800-6 |
| Density: | 0.923 g/cm3 |
| Melting Point: | 14 - 15 °C |
| Boiling Point: | 203.228 °C at 760 mmHg |
| Flash Point: | 86.111 °C |
| Solubility: | 6.576g/L(temperature not stated) |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 36/38-22 |
| Safety: | 37/39-26 |
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- Total:34 Page 1 of 1 1
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Specification
The Cyclooctanol, with the CAS registry number 696-71-9, is also known as Cyclooctyl alcohol. It belongs to the product categories of Alcohols; C7 to C8 and Oxygen Compounds. Its EINECS registry number is 211-800-6. This chemical's molecular formula is C8H16O and molecular weight is 128.21. What's more, both its IUPAC name and systematic name are the same which is called Cyclooctanol.
Physical properties about this chemical are: (1) ACD/LogP: 2.34; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.336; (4) ACD/LogD (pH 7.4): 2.336; (5) ACD/BCF (pH 5.5): 35.12; (6) ACD/BCF (pH 7.4): 35.12; (7) ACD/KOC (pH 5.5): 444.55; (8) ACD/KOC (pH 7.4): 444.55; (9) #H bond acceptors: 1; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 20.23 Å2; (13) Index of Refraction: 1.466; (14) Molar Refractivity: 38.484 cm3; (15) Molar Volume: 138.917 cm3; (16) Surface Tension: 30.722 dyne/cm; (17) Density: 0.923 g/cm3; (18) Flash Point: 86.111 °C; (19) Enthalpy of Vaporization: 51.125 kJ/mol; (20) Boiling Point: 203.228 °C at 760 mmHg; (21) Vapour Pressure: 0.068 mmHg at 25 °C; (22) Melting Point: 14 - 15 °C.
Preparation of Cyclooctanol: this chemical is prepared by reaction of Cyclooctanone.
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This reaction needs reagent NaBH4, moist Al2O3 and solvent Hexane at temperature of 30 °C. The reaction time is 3 hours. The yield is 100 %.
Uses of Cyclooctanol : it is used to produce other chemicals. For example, it is used to produce Phenyl-carbamic acid cyclooctyl ester.
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The reaction occurs with reagent Petroleum ether and the yield is 72 %.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, skin and may cause inflammation to the skin or other mucous membranes. In addition, it is harmful that may cause damage to health. Therefore, you should wear suitable protective gloves and eye/face protection. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: C1CCCC(CCC1)O
(2) InChI: InChI=1/C8H16O/c9-8-6-4-2-1-3-5-7-8/h8-9H,1-7H2
(3) InChIKey: FHADSMKORVFYOS-UHFFFAOYAD