Pentane,1,1,1-triethoxy- supplier

Name
ORTHO-N-VALERIC ACID TRIETHYL ESTER
EINECS 213-047-9
CAS No. 919-29-9
Article Data2
CAS DataBase
Density 0.891 g/cm³
Solubility
Melting Point
Formula C₁₁H₂₄O₃
Boiling Point 219.6 °C at 760 mmHg
Molecular Weight 204.31
Flash Point 77 °C
Transport Information
Appearance colorless liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Orthovalericacid, triethyl ester (7CI,8CI);1,1,1-Triethoxypentane;Triethylorthopentanoate;Triethyl orthovalerate;
PSA 27.69000
LogP 2.93990

Pentane,1,1,1-triethoxy- Specification

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

Product Name

ORTHO-N-VALERIC ACID TRIETHYL ESTER

Pentane,1,1,1-triethoxy- Specification

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