Basic information
- Name:
Propane,1,1,1-trimethoxy-
- Superlist Name:
- Trimethyl orthopropionate
- CAS No.:
24823-81-2
- Molecular Structure:
- Formula:
- C6H14O3
- Molecular Weight:
- 134.17
- 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 Description:
- 16-26-36 Details
- Transport Information:
- UN 3272
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Specification
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. And the molecular formula of this chemical is C6H14O3.
The physical properties of Trimethyl orthopropionate are as following: (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.
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%.
You should be cautious while dealing with this chemical. 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.
You can still convert the following datas into molecular structure:
(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