12-METHYLTETRADECANOIC ACID

The Tetradecanoic acid,12-methyl-, with the CAS registry number 5502-94-3, is also known as Aseanostatin P5. It belongs to the product categories of Branched Fatty Acids; Methyl Branched; Saturated Fatty Acids and Derivatives. This chemical's molecular formula is C₁₅H₃₀O₂ and molecular weight is 242.3975. Its IUPAC name is called 12-methyltetradecanoic acid.

Physical properties of Tetradecanoic acid,12-methyl-: (1)ACD/LogP: 6.44; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.64; (4)ACD/LogD (pH 7.4): 3.85; (5)ACD/BCF (pH 5.5): 7360.41; (6)ACD/BCF (pH 7.4): 118.08; (7)ACD/KOC (pH 5.5): 12112.9; (8)ACD/KOC (pH 7.4): 194.32; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 12; (12)Index of Refraction: 1.451; (13)Molar Refractivity: 73.06 cm³; (14)Molar Volume: 271.1 cm³; (15)Surface Tension: 32.6 dyne/cm; (16)Density: 0.894 g/cm³; (17)Flash Point: 197.4 °C; (18)Enthalpy of Vaporization: 65.98 kJ/mol; (19)Boiling Point: 355.5 °C at 760 mmHg; (20)Vapour Pressure: 5.19E-06 mmHg at 25°C.

Preparation of Tetradecanoic acid,12-methyl-: this chemical can be prepared by 10-Keto-12-methyltetradecansaeuremethylester. This reaction will need reagents KOH, NH₂NH₂•H₂O and various solvents. The reaction time is 6 hours with reaction temperature of 200 °C. The yield is about 65%.

Uses of Tetradecanoic acid,12-methyl-: it can be used to produce 12-methyl-tetradecanoic acid methyl ester with methanol. This reaction will need reagent 20percent HCl/CH₃OH. The yield is about 78%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(C)CCCCCCCCCCC(=O)O
(2)InChI: InChI=1S/C15H30O2/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
(3)InChIKey: XKLJLHAPJBUBNL-UHFFFAOYSA-N