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| CAS No.: | 3295-97-4 |
|---|---|
| Name: | ALLYL N-OCTYL ETHER |
| Article Data: | 22 |
| Molecular Structure: | |
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| Formula: | C11H22O |
| Molecular Weight: | 170.295 |
| Synonyms: | 1-(Allyloxy)octane; |
| Density: | 0.804 g/cm3 |
| Boiling Point: | 211.4 °C at 760 mmHg |
| Flash Point: | 68.1 °C |
| PSA: | 9.23000 |
| LogP: | 3.54950 |
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Specification
The Allyl octyl ether, with the CAS registry number of 3295-97-4, is also known as 1-(Allyloxy)octane. It belongs to the product category of monomer. This chemical's molecular formula is C11H22O and molecular weight is 170.29. What's more, its systematic name is 1-(Prop-2-en-1-yloxy)octane. In addition, it must be stored in airtight containers and placed in a dry, ventilated place at room temperature.
Physical properties about the Allyl octyl ether are: (1)ACD/LogP: 4.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.47; (4)ACD/LogD (pH 7.4): 4.47; (5)ACD/BCF (pH 5.5): 1458.6; (6)ACD/BCF (pH 7.4): 1458.6; (7)ACD/KOC (pH 5.5): 6402.41; (8)ACD/KOC (pH 7.4): 6402.41; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.428; (14)Molar Refractivity: 54.48 cm3; (15)Molar Volume: 211.5 cm3; (16)Surface Tension: 26.1 dyne/cm; (17)Density: 0.804 g/cm3; (18)Flash Point: 68.1 °C; (19)Enthalpy of Vaporization: 42.94 kJ/mol; (20)Boiling Point: 211.4 °C at 760 mmHg; (21)Vapour Pressure: 0.265 mmHg at 25 °C.
Preparation: this chemical is prepared by reaction of Tributyl-vinyl stannane with Bromomethyl octyl ether. The reaction needs catalyst (Ph3P)4Pd and solvent 1,2-Dichloro-ethane. The reaction time is 10 hours with reaction temperature of 24 °C. The yield is about 84 %.
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Uses: it is used to produce other chemicals. For example, it is used to produce Octan-1-ol.This reaction needs reagents NaI, Chlorotrimethylsilane. Meanwhile, it needs solvent Acetonitrile. The reaction time is 3 minutes. The yield is about 95 %.
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You can still convert the following datas into molecular structure:
(1) SMILES:O(CCCCCCCC)C\C=C
(2) InChI:InChI=1/C11H22O/c1-3-5-6-7-8-9-11-12-10-4-2/h4H,2-3,5-11H2,1H3
(3) InChIKey:IELYMBBIHQDONA-UHFFFAOYAZ