METHYL NONANOATE

The Nonanoic acid, methylester is an organic compound with the formula C₁₀H₂₀O₂. The IUPAC name of this chemical is Methyl nonanoate. With the CAS registry number 1731-84-6, it is also named as Methyl pelargonate. The product's categories are Analytical Chemistry; Fatty Acid Methyl Esters (GC Standard); Standard Materials for GC. Besides, it is clear colorless liquid, which should be stored at −20 °C.

Physical properties about Nonanoic acid, methylester are: (1)ACD/LogP: 3.90; (2)ACD/LogD (pH 5.5): 3.9; (3)ACD/LogD (pH 7.4): 3.9; (4)ACD/BCF (pH 5.5): 538.64; (5)ACD/BCF (pH 7.4): 538.64; (6)ACD/KOC (pH 5.5): 3138.1; (7)ACD/KOC (pH 7.4): 3138.1; (8)#H bond acceptors: 2 ; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 26.3 Å²; (11)Index of Refraction: 1.422; (12)Molar Refractivity: 50.15 cm³; (13)Molar Volume: 197 cm³; (14)Polarizability: 19.88×10^-24 cm³; (15)Surface Tension: 28.3 dyne/cm; (16)Density: 0.874 g/cm³; (17)Flash Point: 84.4 °C; (18)Enthalpy of Vaporization: 44.66 kJ/mol; (19)Boiling Point: 210.3 °C at 760 mmHg; (20)Vapour Pressure: 0.193 mmHg at 25 °C. 

Preparation: this chemical can be prepared by Diazomethane. This reaction will need  solvents diethyl ether; CHCl₃. The yield is about 97%.

 

Uses of Nonanoic acid, methylester: it can be used to produce Methyl ester of selenopelargonic acid at temperature of 20 °C. It will need solvents diethyl ether; toluene with reaction time of 5 min. The yield is about 96%.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3
(2)InChIKey: IJXHLVMUNBOGRR-UHFFFAOYAA
(3)Std. InChI: InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3
(4)Std. InChIKey: IJXHLVMUNBOGRR-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	intravenous	48mg/kg (48mg/kg)		Journal of the Reticuloendothelial Society. Vol. 3, Pg. 250, 1966.