Cyclobutanecarboxylic acid

The Cyclobutanecarboxylic acid, with the CAS registry number 3721-95-7, is also known as Cyclo-butyl formic acid. It belongs to the product categories of Acids and Derivatives; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Cyclobutanes & Cyclobutenes; Simple 4-Membered Ring Compounds; Cycloalkanes; C1 to C5; Carbonyl Compounds; Carboxylic Acids. Its EINECS registry number is 223-072-7. This chemical's molecular formula is C₅H₈O₂ and molecular weight is 100.12. What's more, its IUPAC name is the same with its product name. This chemical can be prepared by Cyclobutane-1, 1-dicarboxylic acid. This reaction needs the temperature of 160 °C. The yield is 86-91 %.

Physical properties about Cyclobutanecarboxylic acid are: (1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.14; (4)ACD/LogD (pH 7.4): -1.93; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.84; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 24.55 cm³; (15)Molar Volume: 83.2 cm³; (16)Surface Tension: 49.5 dyne/cm; (17)Density: 1.202 g/cm³; (18)Flash Point: 85.4 °C; (19)Enthalpy of Vaporization: 47.56 kJ/mol; (20)Boiling Point: 195.3 °C at 760 mmHg; (21)Vapour Pressure: 0.182 mmHg at 25 °C.

Uses of Cyclobutanecarboxylic acid: (1) it is used in organic synthesis; (2) it is used to produce other chemicals. For example, it can react with Methanol to get Cyclobutanecarboxylic acid methyl ester. The reaction occurs with reagent H₂SO₄ and other condition of heating for 8 hours. The yield is 75 %.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should avoid contacting with skin, eyes and wear suitable protective clothing. You can not breathe the gas/fumes/vapour/spray. And in case of contacting 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) SMILES: O=C(O)C1CCC1
(2) InChI: InChI=1S/C5H8O2/c6-5(7)4-2-1-3-4/h4H,1-3H2,(H,6,7)
(3) InChIKey: TXWOGHSRPAYOML-UHFFFAOYSA-N

The toxicity data is as follows: