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| CAS No.: | 24823-81-2 |
|---|---|
| Name: | Trimethyl orthopropionate |
| Article Data: | 1 |
| Molecular Structure: | |
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|
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| Formula: | C6H14O3 |
| Molecular Weight: | 134.175 |
| Synonyms: | Orthopropionicacid, trimethyl ester (6CI,7CI);1,1,1-Trimethoxypropane;Trimethylorthopropanoate;1,1,1-trimethoxypropane;propane, 1,1,1-trimethoxy-; |
| Density: | 0.914 g/cm3 |
| Boiling Point: | 104.5 °C at 760 mmHg |
| Flash Point: | 25.4 °C |
| Appearance: | Clear colorless liquid |
| Hazard Symbols: |
 Xi;  F
|
| Risk Codes: | 36/38-11 |
| Safety: | 16-26-36 |
| Transport Information: | UN 3272 |
| PSA: | 27.69000 |
| LogP: | 0.98940 |
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Specification
1. Introduction of Trimethyl orthopropionate
The Trimethyl orthopropionate, with the CAS registry number 24823-81-2, has the IUPAC name of 1,1,1-trimethoxypropane. It is a kind of clear colorless liquid, and belongs to the product category of Orthoesters. It has synonyms of Orthopropionicacid, trimethyl ester (6CI,7CI);1,1,1-Trimethoxypropane;Trimethylorthopropanoate;1,1,1-trimethoxypropane and propane, 1,1,1-trimethoxy-.
2. The physical properties of Trimethyl orthopropionate
(1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.43; (4)ACD/LogD (pH 7.4): 1.43; (5)ACD/BCF (pH 5.5): 7.22; (6)ACD/BCF (pH 7.4): 7.22; (7)ACD/KOC (pH 5.5): 143.28; (8)ACD/KOC (pH 7.4): 143.28; (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: 1.393; (14)Molar Refractivity: 35.04 cm3; (15)Molar Volume: 146.7 cm3; (16)Polarizability: 13.89×10-24cm3; (17)Surface Tension: 24 dyne/cm; (18)Density: 0.914 g/cm3; (19)Flash Point: 25.4 °C; (20)Enthalpy of Vaporization: 32.93 kJ/mol; (21)Boiling Point: 104.5 °C at 760 mmHg; (22)Vapour Pressure: 35.8 mmHg at 25°C.
3.Structure descriptors of Trimethyl orthopropionate
(1)SMILES: O(C)C(OC)(OC)CC
(2)InChI: InChI=1/C6H14O3/c1-5-6(7-2,8-3)9-4/h5H2,1-4H3
(3)InChIKey: ZGMNAIODRDOMEK-UHFFFAOYAO
4.Uses of Trimethyl orthopropionate
It can react with but-2-yne-1,4-diol to produce 2,5-dimethyl-3,4-dimethylene-hexanedioic acid dimethyl ester. This reaction will need reagent propanoic acid. The reaction time is 3 hours with temperature of 110°C, and the yield is about 88%.
5. Safety information of Trimethyl orthopropionate
It is a kind of highly flammable chemical, and it also irritates eyes and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Keep away from sources of ignition - No smoking.