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| CAS No.: | 598-05-0 |
|---|---|
| Name: | DIPROPYL SULFATE |
| Article Data: | 16 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H14O4S |
| Molecular Weight: | 182.241 |
| Synonyms: | Dipropyl sulphate; |
| Density: | 1.129 g/cm3 |
| Boiling Point: | 250.4 °C at 760 mmHg |
| Flash Point: | 105.3 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| PSA: | 60.98000 |
| LogP: | 2.16520 |
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| Conditions | Yield |
|---|---|
| at 70 - 80℃; |
| Conditions | Yield |
|---|---|
| With zinc(II) chloride at 80 - 100℃; |
| Conditions | Yield |
|---|---|
| at 85 - 105℃; |
| Conditions | Yield |
|---|---|
| With permanganate(VII) ion | |
| With ruthenium trichloride; sodium periodate |
| Conditions | Yield |
|---|---|
| With sulfuryl dichloride; diethyl ether at -15 - -10℃; |
| Conditions | Yield |
|---|---|
| With diethyl ether; silver sulfate at 130℃; |
| Conditions | Yield |
|---|---|
| With sulfuric acid at -3℃; |
| Conditions | Yield |
|---|---|
| at -3℃; |
- Total:36 Page 1 of 1 1
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Specification
The Sulfuric acid, dipropylester, with the CAS registry number 598-05-0, is also known as Dipropyl sulphate. This chemical's molecular formula is C6H14O4S and molecular weight is 182.24. What's more, both its IUPAC name and systematic name are the same which is called Dipropyl sulfate.
Physical properties about this chemical are: (1)ACD/LogP: 2.20; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.2; (4)ACD/LogD (pH 7.4): 2.2; (5)ACD/BCF (pH 5.5): 27.8; (6)ACD/BCF (pH 7.4): 27.8; (7)ACD/KOC (pH 5.5): 376.07; (8)ACD/KOC (pH 7.4): 376.07; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 60.98 Å2; (13)Index of Refraction: 1.435; (14)Molar Refractivity: 42.12 cm3; (15)Molar Volume: 161.3 cm3; (16)Surface Tension: 35.3 dyne/cm; (17)Density: 1.129 g/cm3; (18)Flash Point: 105.3 °C; (19)Enthalpy of Vaporization: 46.8 kJ/mol; (20)Boiling Point: 250.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0343 mmHg at 25 °C.
Uses of Sulfuric acid, dipropylester: it is used to produce other chemicals. For example, it is used to produce 3-Propyl-2-methylnaphto[2,1-d]thiazolium propylsulfate.
![Sulfuric acid, dipropylester is used to produce 3-Propyl-2-methylnaphto[2,1-d]thiazolium propylsulfate.](/UserFilesUpload/Uses of Sulfuric acid, dipropylester(1).jpg)
![Sulfuric acid, dipropylester is used to produce 3-Propyl-2-methylnaphto[2,1-d]thiazolium propylsulfate](/UserFilesUpload/Uses of Sulfuric acid, dipropylester(2).jpg)
This reaction will occur at temperature of 120 °C for 10 hours. The yield is 90%.
When you are dealing with this chemical, you should be very careful. This chemical may destroy living tissue on contact. It may cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. In addition, if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(OCCC)OCCC
(2) InChI: InChI=1/C6H14O4S/c1-3-5-9-11(7,8)10-6-4-2/h3-6H2,1-2H3
(3) InChIKey: JYCKNDWZDXGNBW-UHFFFAOYAT