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| CAS No.: | 1538-75-6 |
|---|---|
| Name: | Propanoic acid,2,2-dimethyl-, 1,1'-anhydride |
| Article Data: | 57 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C10H18O3 |
| Molecular Weight: | 186.251 |
| Synonyms: | Trimethylacetic anhydride;Pivalicanhydride (7CI,8CI);Propanoic acid, 2,2-dimethyl-, anhydride (9CI);2,2,2-Trimethylacetic anhydride;2,2-Dimethylpropanoic acid anhydride;2,2-Dimethylpropanoic anhydride;2,2-Dimethylpropanoyl anhydride;2,2-Dimethylpropionic anhydride;Neopentanoic anhydride;Pivalic acidanhydride;Pivaloyl anhydride;Trimethylacetic acid anhydride;Trimethylaceticanhydride; |
| EINECS: | 216-263-1 |
| Density: | 0.958 g/cm3 |
| Melting Point: | N/A |
| Boiling Point: | 193 °C at 760 mmHg |
| Flash Point: | 57.2 °C |
| Solubility: | N/A |
| Appearance: | clear colourless liquid |
| Hazard Symbols: |
 C
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| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 2920 8/PG 2 |
| PSA: | 43.37000 |
| LogP: | 2.14840 |
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The Propanoic acid,2,2-dimethyl-, 1,1'-anhydride, with the CAS registry number 1538-75-6, is also known as 2,2,2-Trimethylacetic anhydride. It belongs to the product categories of Aliphatics; Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals. Its EINECS number is 216-263-1. This chemical's molecular formula is C10H18O3 and molecular weight is 186.25. What's more, its systematic name is 2,2-dimethylpropanoic anhydride. It should be sealed and stored in a cool and dry place. It should be ensured that the workshop is well ventilated or equipped with exhaust devices. Moreover, it should be protected from bases, water and moisture.
Physical properties of Propanoic acid,2,2-dimethyl-, 1,1'-anhydride are: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 1.97; (5)ACD/BCF (pH 5.5): 18.61; (6)ACD/BCF (pH 7.4): 18.61; (7)ACD/KOC (pH 5.5): 282.19; (8)ACD/KOC (pH 7.4): 282.19; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.429; (14)Molar Refractivity: 50.11 cm3; (15)Molar Volume: 194.3 cm3; (16)Polarizability: 19.86×10-24cm3; (17)Surface Tension: 28.7 dyne/cm; (18)Density: 0.958 g/cm3; (19)Flash Point: 57.2 °C; (20)Enthalpy of Vaporization: 42.92 kJ/mol; (21)Boiling Point: 193 °C at 760 mmHg; (22)Vapour Pressure: 0.475 mmHg at 25°C.
Preparation: this chemical can be prepared by 2,2-dimethyl-propionyl chloride by heating. This reaction will need reagents potassium carbonate, benzyltriethylammonium chloride and solvent toluene with the reaction time of 7 hours. The yield is about 80%.
Uses of Propanoic acid,2,2-dimethyl-, 1,1'-anhydride: it can be used to produce cyano-4, N-tert-butyloxycarbonyl piperidine. It will need solvent CH2Cl2 with the reaction time of 2 hours. The yield is about 96%.
When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you need seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(=O)C(C)(C)C)C(C)(C)C
(2)Std. InChI: InChI=1S/C10H18O3/c1-9(2,3)7(11)13-8(12)10(4,5)6/h1-6H3
(3)Std. InChIKey: PGZVFRAEAAXREB-UHFFFAOYSA-N
