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| CAS No.: | 623-96-1 |
|---|---|
| Name: | Dipropyl carbonate |
| Article Data: | 60 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H14O3 |
| Molecular Weight: | 146.186 |
| Synonyms: | Di-n-propylcarbonate;Dipropyl carbonate;NSC 166495;Propyl carbonate; |
| EINECS: | 210-822-3 |
| Density: | 0.949 g/cm3 |
| Melting Point: | <25 °C |
| Boiling Point: | 168 °C at 760 mmHg |
| Flash Point: | 55 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 10-20/21/22-36/37/38 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3272 |
| PSA: | 35.53000 |
| LogP: | 1.95960 |
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Specification
The Dipropyl carbonate with the cas number 623-96-1 is also called Carbonic acid, dipropylester. Its EINECS registry number is 210-822-3. The molecular formula is C7H14O3. This chemical belongs to the following product categories: (1)Carbonates; (2)Carbonyl Compounds; (3)Organic Building Blocks.
The properties of the chemical are: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.27; (4)ACD/LogD (pH 7.4): 2.27; (5)ACD/BCF (pH 5.5): 31.42; (6)ACD/BCF (pH 7.4): 31.42; (7)ACD/KOC (pH 5.5): 410.53; (8)ACD/KOC (pH 7.4): 410.53; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.408; (14)Molar Refractivity: 37.99 cm3; (15)Molar Volume: 153.9 cm3; (16)Polarizability: 15.06×10-24cm3; (17)Surface Tension: 28.3 dyne/cm; (18)Enthalpy of Vaporization: 40.44 kJ/mol; (19)Vapour Pressure: 1.65 mmHg at 25°C.
Preparation: This chemical can be prepared by the reaction of 1-bromo-propane and Potassium carbonate. This reaction needs catalyst 10 mol percent chlorotributylstannane (Bu3SnCl) and solvent dimethylsulfoxide at temperature of 60°C. The reaction time is 30 hours. The yield is 69%.
While using this chemical, you should be very cautious. This chemical is flammable and harmful by inhalation, in contact with skin and if swallowed. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible).
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCC)OCCC
(2)InChI: InChI=1/C7H14O3/c1-3-5-9-7(8)10-6-4-2/h3-6H2,1-2H3
(3)InChIKey: VUPKGFBOKBGHFZ-UHFFFAOYAL