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| CAS No.: | 16387-55-6 |
|---|---|
| Name: | 2-OCTYNAL DIETHYL ACETAL 98 |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C12H22O2 |
| Molecular Weight: | 198.305 |
| Synonyms: | 1,1-Diethoxy-2-octyne;2-OCTYNAL DIETHYL ACETAL 98;1,1-diethoxyoct-2-yne;Einecs 240-438-1 |
| EINECS: | 240-438-1 |
| Density: | 0.889 g/cm3 |
| Boiling Point: | 241.5 °C at 760 mmHg |
| Flash Point: | 98.3 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 18.46000 |
| LogP: | 2.96920 |
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Specification
The 1,1-Diethoxyoct-2-yne is an organic compound with the formula C12H22O2. The IUPAC name of this chemical is 1,1-Diethoxyoct-2-yne. With the CAS registry number 16387-55-6, it is also named as 2-Octynal diethyl acetal. Besides, it should be stored in a cool, sealed, dry place.
Physical properties about 1,1-Diethoxyoct-2-yne are: (1)ACD/LogP: 4.25; (2)ACD/LogD (pH 5.5): 4.25; (3)ACD/LogD (pH 7.4): 4.25; (4)ACD/BCF (pH 5.5): 1007.16; (5)ACD/BCF (pH 7.4): 1007.16; (6)ACD/KOC (pH 5.5): 4911.55; (7)ACD/KOC (pH 7.4): 4911.55; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 18.46 Å2; (11)Index of Refraction: 1.442; (12)Molar Refractivity: 59.09 cm3; (13)Molar Volume: 223 cm3; (14)Polarizability: 23.42×10-24 cm3; (15)Surface Tension: 30.5 dyne/cm; (16)Density: 0.889 g/cm3; (17)Flash Point: 98.3 °C; (18)Enthalpy of Vaporization: 45.9 kJ/mol; (19)Boiling Point: 241.5 °C at 760 mmHg; (20)Vapour Pressure: 0.0557 mmHg at 25 °C.
Preparation: this chemical can be prepared by Triethoxymethane. This reaction will need reagents sodium iodide; zinc chloride. The reaction time is 4 hours. The yield is about 70.2%.
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Uses of 1,1-Diethoxyoct-2-yne: it can be used to produce 3-Butyl-1-ethoxy-octa-1,2-diene. It will need reagent 5 percent CuBr•Me2S and solvent diethyl ether with reaction time of 3 hours. The yield is about 75%.
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When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C12H22O2/c1-4-7-8-9-10-11-12(13-5-2)14-6-3/h12H,4-9H2,1-3H3
(2)InChIKey: YKXAYRBNHIHDSI-UHFFFAOYAY
(3)Std. InChI: InChI=1S/C12H22O2/c1-4-7-8-9-10-11-12(13-5-2)14-6-3/h12H,4-9H2,1-3H3
(4)Std. InChIKey: YKXAYRBNHIHDSI-UHFFFAOYSA-N