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| CAS No.: | 19448-61-4 |
|---|---|
| Name: | PROPIONIC ACID-D6 |
| Molecular Structure: | |
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|
|
| Formula: | C3D6O2 |
| Molecular Weight: | 80.0318 |
| Synonyms: | Propionic-d5acid-d (8CI);Propionic acid (C2D5COOD);Propionic acid-d6; |
| Density: | 1.102 g/cm3 |
| Melting Point: | -24 – -23 °C |
| Boiling Point: | 141.7 °C at 760 mmHg |
| Flash Point: | 57.7 °C |
| Appearance: | clear colorless liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 23-36-45 |
| PSA: | 37.30000 |
| LogP: | 0.48100 |
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Specification
The Propanoic-d5 acid-d(9CI), with the CAS registry number 19448-61-4, is also known as Propionic acid-d6. This chemical's molecular formula is C3D6O2 and molecular weight is 80.12. What's more, its systematic name is (2H5)Propan(2H)oic acid. It should be preserved hermetically and put in a cool, dry place. It's clear colorless liquid.
Physical properties about Propanoic-d5 acid-d(9CI): (1)ACD/LogP: 0.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.54; (4)ACD/LogD (pH 7.4): -2.33; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.3; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.397; (14)Molar Refractivity: 17.51 cm3; (15)Molar Volume: 72.6 cm3; (16)Surface Tension: 32.3 dyne/cm; (17)Density: 1.102 g/cm3; (18)Flash Point: 57.7 °C; (19)Enthalpy of Vaporization: 40.08 kJ/mol; (20)Boiling Point: 141.7 °C at 760 mmHg; (21)Vapour Pressure: 4.23 mmHg at 25 °C; (22)Melting point: -24 – -23 °C.
Uses of Propanoic-d5 acid-d(9CI): it is used to produce other chemicals. For example, it is used to produce [2H8]propan-2-ol. The reaction occurs with reagent LiAlD4, solvent Diethyl ether and other condition of heating for 8 hours. The yield is 85 %.
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When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health at low levels and may destroy living tissue on contacting. What’s more, it could cause burns. You can not breathe the gas, fumes, vapour and spray. Therefore, you should wear suitable protective clothing. And in case of accident or if you feel unwell, you should seek medical advice immediately.
You can still convert the following datas into molecular structure:
(1) SMILES: [2H]C([2H])([2H])C([2H])([2H])C(=O)O[2H]
(2) InChI: InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i1D3,2D2/hD
(3) InChIKey: XBDQKXXYIPTUBI-WYMDYBCKEF