2,2-DIMETHYLHEXANOIC ACID

The CAS register number of Hexanoic acid,2,2-dimethyl- is 813-72-9. It also can be called as 2,2-dimethyl-hexanoic acid and the systematic name about this chemical is 2,2-dimethylhexanoic acid. The molecular formula about this chemical is C₈H₁₆O₂ and the molecular weight is 144.21.

Physical properties about Hexanoic acid,2,2-dimethyl- are: (1)ACD/LogP: 2.54; (2)ACD/LogD (pH 5.5): 1.81; (3)ACD/LogD (pH 7.4): 0.02; (4)ACD/BCF (pH 5.5): 9.28; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 106.31; (7)ACD/KOC (pH 7.4): 1.74; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 26.3Ų; (12)Index of Refraction: 1.436; (13)Molar Refractivity: 40.64 cm³; (14)Molar Volume: 155.2 cm³; (15)Polarizability: 16.11x10^-24cm³; (16)Surface Tension: 31.3 dyne/cm; (17)Enthalpy of Vaporization: 51.14 kJ/mol; (18)Boiling Point: 227.7 °C at 760 mmHg; (19)Vapour Pressure: 0.0275 mmHg at 25°C.

Uses of Hexanoic acid,2,2-dimethyl-: it can be used to produce 3,3-dimethyl-heptan-2-one with methyllithium at temperature of -10 °C. This reaction will need solvent diethyl ether with reaction time of 3 hours. The yield is about 90.5%.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, please seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(C)(CCCC)C
(2)InChI: InChI=1/C8H16O2/c1-4-5-6-8(2,3)7(9)10/h4-6H2,1-3H3,(H,9,10)
(3)InChIKey: YTTWDTVYXAEAJA-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C8H16O2/c1-4-5-6-8(2,3)7(9)10/h4-6H2,1-3H3,(H,9,10)
(5)Std. InChIKey: YTTWDTVYXAEAJA-UHFFFAOYSA-N