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Nonanoic acid, methylester

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Nonanoic acid, methylester

EINECS 217-052-7
CAS No. 1731-84-6 Density 0.874 g/cm3
PSA 26.30000 LogP 2.91000
Solubility N/A Melting Point 30 °C
Formula C10H20O2 Boiling Point 210.3 °C at 760 mmHg
Molecular Weight 172.268 Flash Point 84.4 °C
Transport Information N/A Appearance Clear colorless liquid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1731-84-6 (METHYL NONANOATE) Hazard Symbols N/A
Synonyms

Methyln-nonanoate;Methyl nonanoate;Methyl nonylate;Methyl pelargonate;Pelargonicacid methyl ester;

Article Data 126

Nonanoic acid, methylester Specification

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.

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