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| CAS No.: | 14300-33-5 |
|---|---|
| Name: | DICYCLOPROPYLMETHANOL |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C7H12O |
| Molecular Weight: | 112.172 |
| Synonyms: | Methanol,dicyclopropyl- (6CI,7CI,8CI);Dicyclopropyl carbinol;Dicyclopropylmethan-1-ol;Dicyclopropylmethanol;Dicyclopropylmethyl alcohol; |
| EINECS: | 238-236-3 |
| Density: | 1.172 g/cm3 |
| Boiling Point: | 175.3 °C at 760 mmHg |
| Flash Point: | 72.8 °C |
| Solubility: | Sparingly soluble in water. |
| Safety: | 24/25 |
| PSA: | 20.23000 |
| LogP: | 1.16730 |
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Specification
The Cyclopropanemethanol, a-cyclopropyl-, with the CAS registry number 14300-33-5, is also known as Methanol,dicyclopropyl- (6CI,7CI,8CI). Its EINECS registry number is 238-236-3. This chemical's molecular formula is C7H12O and molecular weight is 112.1696. What's more, its IUPAC name is Dicyclopropylmethanol. It should be stored in airtight containers and placed in a dry, cool place at temperature of 2-8 °C. When you are dealing with this chemical, you should be very careful. You should avoid contact with skin and eyes.
Physical properties about Cyclopropanemethanol, a-cyclopropyl- are: (1)ACD/LogP: 0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.89; (4)ACD/LogD (pH 7.4): 0.89; (5)ACD/BCF (pH 5.5): 2.81; (6)ACD/BCF (pH 7.4): 2.81; (7)ACD/KOC (pH 5.5): 72.95; (8)ACD/KOC (pH 7.4): 72.95; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 31.8 cm3; (15)Molar Volume: 95.6 cm3; (16)Polarizability: 12.6×10-24 cm3; (17)Surface Tension: 56.4 dyne/cm; (18)Density: 1.172 g/cm3; (19)Flash Point: 72.8 °C; (20)Enthalpy of Vaporization: 47.92 kJ/mol; (21)Boiling Point: 175.3 °C at 760 mmHg; (22)Vapour Pressure: 0.357 mmHg at 25 °C.
Preparation of Cyclopropanemethanol, a-cyclopropyl-: this chemical is prepared by Dicyclopropylmethanone. This reaction needs reagent KH and solvent tetrahydrofuran. The reaction time is 14 hours. The yield is 76 %. And the reaction equation is as followed:
Use of Cyclopropanemethanol, a-cyclopropyl-: it is used to produce other chemicals. For example, it is used to produce 3-Dicyclopropylmethyl-4-hydroxy-5,6,7,8,9,10-hexahydro-cycloocta[b]pyran-2-one. The reaction occurs with reagents p-TSA, 3 Angstroem sieves and solvent toluene at temperature of 140 °C. The reaction time is 7 hours. The yield is 48 %. And the reaction equation is as followed:
![Cyclopropanemethanol, a-cyclopropyl- is used to produce 3-Dicyclopropylmethyl-4-hydroxy-5,6,7,8,9,10-hexahydro-cycloocta[b]pyran-2-one](/UserFilesUpload/Use of Cyclopropanemethanol, a-cyclopropyl-.png)
You can still convert the following datas into molecular structure:
(1) SMILES: OC(C1CC1)C2CC2
(2) InChI: InChI=1/C7H12O/c8-7(5-1-2-5)6-3-4-6/h5-8H,1-4H2
(3) InChIKey: PIXLZMHERIHLJL-UHFFFAOYAD