Cyclohexanepropionic acid

assay of 3-Cyclohexylpropionic Acid: 99%
refractive index: n20/D 1.464(lit.)

The 3-Cyclohexylpropionic acid, with the CAS registry number 701-97-3, is also known as Cyclohexanepropionic acid. Its EINECS registry number is 211-861-9. This chemical's molecular formula is C₉H₁₆O₂ and molecular weight is 156.22214. Its IUPAC name is called 3-cyclohexylpropanoic acid. This chemical is clear colorless to slightly yellow liquid. This chemical can be used as pharmaceutical intermediates in organic synthesis. It can also be used for the synthesis of pineapple esters.

Physical properties of 3-Cyclohexylpropionic acid: (1)ACD/LogP: 2.84; (2)ACD/LogD (pH 5.5): 2.05; (3)ACD/LogD (pH 7.4): 0.26; (4)ACD/BCF (pH 5.5): 13.84; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 136.54; (7)ACD/KOC (pH 7.4): 2.2; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.468; (12)Molar Refractivity: 43.19 cm³; (13)Molar Volume: 155.1 cm³; (14)Surface Tension: 38.2 dyne/cm; (15)Density: 1.006 g/cm³; (16)Flash Point: 131.5 °C; (17)Enthalpy of Vaporization: 56.68 kJ/mol; (18)Boiling Point: 276.5 °C at 760 mmHg; (19)Vapour Pressure: 0.0013 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-phenyl-propionic acid. This reaction will need reagent acetic acid, platinum. The reaction temperature is 250 - 260 °C.

Uses of 3-Cyclohexylpropionic acid: it can be used to produce 3-cyclohexyl-propionyl chloride. This reaction will need reagent thionyl chloride.

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 and may cause damage to health. 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. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCC(CC1)CCC(=O)O
(2)InChI: InChI=1S/C9H16O2/c10-9(11)7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H,10,11)
(3)InChIKey: HJZLEGIHUQOJBA-UHFFFAOYSA-N