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CAS No.: | 919-29-9 |
---|---|
Name: | ORTHO-N-VALERIC ACID TRIETHYL ESTER |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C11H24O3 |
Molecular Weight: | 204.31 |
Synonyms: | Orthovalericacid, triethyl ester (7CI,8CI);1,1,1-Triethoxypentane;Triethylorthopentanoate;Triethyl orthovalerate; |
EINECS: | 213-047-9 |
Density: | 0.891 g/cm3 |
Boiling Point: | 219.6 °C at 760 mmHg |
Flash Point: | 77 °C |
Appearance: | colorless liquid |
PSA: | 27.69000 |
LogP: | 2.93990 |
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This chemical is called Pentane,1,1,1-triethoxy-, and its systematic name is 1,1,1-triethoxypentane. With the molecular formula of C11H24O3, its molecular weight is 204.31. The CAS registry number of this chemical is 919-29-9. Additionally, its product category is Orthoesters.
Other characteristics of the Pentane,1,1,1-triethoxy- can be summarised as followings: (1)ACD/LogP: 4.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.09; (4)ACD/LogD (pH 7.4): 4.09; (5)ACD/BCF (pH 5.5): 754.53; (6)ACD/BCF (pH 7.4): 754.53; (7)ACD/KOC (pH 5.5): 3994.32; (8)ACD/KOC (pH 7.4): 3994.32; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.421; (14)Molar Refractivity: 58.21 cm3; (15)Molar Volume: 229.2 cm3; (16)Polarizability: 23.07×10-24cm3; (17)Surface Tension: 27.2 dyne/cm; (18)Density: 0.891 g/cm3; (19)Flash Point: 77 °C; (20)Enthalpy of Vaporization: 43.74 kJ/mol; (21)Boiling Point: 219.6 °C at 760 mmHg; (22)Vapour Pressure: 0.175 mmHg at 25°C.
Uses of this chemical: The Pentane,1,1,1-triethoxy- could react with 2-amino-pyridin-3-ol, and obtain the 2-butyl-oxazolo[4,5-b]pyridine. This reaction needs the reagent of p-TsOH. The yield is 42 %. In addition, this reaction should be taken at the temperature of 140-180 °C.
You can still convert the following datas into molecular structure:
1.SMILES: O(CC)C(OCC)(OCC)CCCC
2.InChI: InChI=1/C11H24O3/c1-5-9-10-11(12-6-2,13-7-3)14-8-4/h5-10H2,1-4H3
3.InChIKey: DIKAUBKIDNXNNW-UHFFFAOYAM