2-METHYL DECANOIC ACID

The Decanoic acid, 2-methyl-, with the CAS registry number 24323-23-7, is also known as 2-Methyl-decanoic acid. Its EINECS registry number is 246-163-3. This chemical's molecular formula is C₁₁H₂₂O₂ and molecular weight is 186.29. What's more, its IUPAC name is 2-Methyldecanoic acid.

Physical properties about Decanoic acid, 2-methyl- are: (1)ACD/LogP: 4.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.55; (4)ACD/LogD (pH 7.4): 1.76; (5)ACD/BCF (pH 5.5): 194.94; (6)ACD/BCF (pH 7.4): 3.16; (7)ACD/KOC (pH 5.5): 923.3; (8)ACD/KOC (pH 7.4): 14.97; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 54.53 cm³; (15)Molar Volume: 205.1 cm³; (16)Polarizability: 21.61×10^-24 cm³; (17)Surface Tension: 32.2 dyne/cm; (18)Density: 0.908 g/cm³; (19)Flash Point: 154.2 °C; (20)Enthalpy of Vaporization: 58.16 kJ/mol; (21)Boiling Point: 289.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000557 mmHg at 25 °C.

Preparation of Decanoic acid, 2-methyl-: this chemical is prepared by 2-Methyl-decanoic acid ethyl ester by heating. The reaction needs reagent 30 % aq. KOH. Meanwhile, it needs solvents Methanol and Toluene. The reaction time is 24 hours. The yield is about 92 %.

Uses of Decanoic acid, 2-methyl-: it is used to produce other chemicals. For example, it is used to produce 2-Methyl-decan-1-ol by heating. The reaction needs reagent LiAlH₄ and solvent Diethyl ether. The yield is about 87 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(CCCCCCCC)C
(2) InChI: InChI=1/C11H22O2/c1-3-4-5-6-7-8-9-10(2)11(12)13/h10H,3-9H2,1-2H3,(H,12,13)
(3) InChIKey: SAOSCTYRONNFTC-UHFFFAOYAN