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| CAS No.: | 52698-46-1 |
|---|---|
| Name: | 1,1,1-Trimethoxy-2-methylpropane |
| Molecular Structure: | |
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| Formula: | C7H16O3 |
| Molecular Weight: | 148.202 |
| Synonyms: | 1,1,1-Trimethoxy-2-methylpropane;Trimethyl orthoisobutyrate; |
| Density: | 0.905 g/cm3 |
| Boiling Point: | 124.8 °C at 760 mmHg |
| Flash Point: | 34.5 °C |
| Appearance: | Clear, colorless liquid |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | R22; R36/37/38 |
| PSA: | 27.69000 |
| LogP: | 1.23540 |
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Specification
The 1,1,1-Trimethoxy-2-methylpropane with the CAS number 52698-46-1 is also called Propane,1,1,1-trimethoxy-2-methyl-. Its molecular formula is C7H16O3. The product category is Orthoesters. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 1,1,1-Trimethoxy-2-methylpropane are: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.26; (6)ACD/BCF (pH 7.4): 13.26; (7)ACD/KOC (pH 5.5): 221.39; (8)ACD/KOC (pH 7.4): 221.39; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.399; (14)Molar Refractivity: 39.63 cm3; (15)Molar Volume: 163.5 cm3; (16)Polarizability: 15.71×10-24cm3; (17)Surface Tension: 24 dyne/cm; (18)Enthalpy of Vaporization: 34.77 kJ/mol; (19)Vapour Pressure: 15.1 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(C)C(OC)(OC)C(C)C
(2)InChI: InChI=1/C7H16O3/c1-6(2)7(8-3,9-4)10-5/h6H,1-5H3
(3)InChIKey: BGLARIMANCDMQX-UHFFFAOYAF