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43083-12-1 supplier Trimethyl orthobutyrate China Trimethyl orthobutyrate 99% min
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1. Introduction of Trimethyl orthobutyrate
Trimethyl orthobutyrate with the CAS registry number 43083-12-1 belongs to the product categories of Intermediates of Dyes and Pigments; Orthoesters. It can be used as pharmaceutical intermediates.
2. Properties of Trimethyl orthobutyrate
Physical properties about Trimethyl orthobutyrate are: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/LogD (pH 7.4): 1.96; (5)ACD/BCF (pH 5.5): 18.3; (6)ACD/BCF (pH 7.4): 18.3; (7)ACD/KOC (pH 5.5): 278.76; (8)ACD/KOC (pH 7.4): 278.76; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 27.69 2; (13)Index of Refraction: 1.401; (14)Molar Refractivity: 39.68 cm3; (15)Molar Volume: 163.2 cm3; (16)Polarizability: 15.73×10-24cm3; (17)Surface Tension: 24.9 dyne/cm; (18)Density: 0.907 g/cm3; (19)Flash Point: 35 °C; (20)Enthalpy of Vaporization: 36.72 kJ/mol; (21)Boiling Point: 146 °C at 760 mmHg; (22)Vapour Pressure: 5.98 mmHg at 25°C.
3. Structure Descriptors of Trimethyl orthobutyrate
(1)SMILES: O(C)C(OC)(OC)CCC
(2)InChI: InChI=1/C7H16O3/c1-5-6-7(8-2,9-3)10-4/h5-6H2,1-4H3
(3)InChIKey: JAFMOTJMRSZOJE-UHFFFAOYAK
4. Safety Information of Trimethyl orthobutyrate
When you are dealing with Trimethyl orthobutyrate, you should be very careful. It is a kind of flammable chemical which irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Do not breathe dust; Wear suitable protective clothing.
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