cyclohex-3-ene-1-carboxylic acid (4771-80-6)

The 3-Cyclohexene-1-carboxylic acid, with its CAS registry number 4771-80-6, has the IUPAC name of cyclohex-3-ene-1-carboxylic acid. For being a kind of colourless liquid, it is stable while incompatible with bases, strong oxidizing agents. Besides, its product categories are including Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; pharmacetical; Carboxylic Acids; heterocyclic/Aliphatic series; Carboxylic Acids; Ring Systems.

The physical properties of this chemical are as below: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.57; (4)ACD/LogD (pH 7.4): -1.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.26; (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; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 33.38 cm³; (15)Molar Volume: 111.9 cm³; (16)Polarizability: 13.23×10^-24 cm³; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.126 g/cm³; (19)Flash Point: 109.9 °C; (20)Enthalpy of Vaporization: 52.72 kJ/mol; (21)Boiling Point: 241.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0118 mmHg at 25°C; (23)Exact Mass: 126.06808; (24)MonoIsotopic Mass: 126.06808; (25)Topological Polar Surface Area: 37.3; (26)Heavy Atom Count: 9; (27)Complexity: 138.

Use of this chemical: 3-Cyclohexene-1-carboxylic acid could react to produce cyclohex-3-enecarbonyl chloride. In this reaction, the reagent is thionyl chloride and the yield is 19.3%.

Production method of this chemical: cyclohex-3-enecarbaldehyde could react to produce 3-Cyclohexene-1-carboxylic acid. And in this reaction, the reagent is chromic acid.

When you are dealing with this chemical, you should be careful. For one thing, it is irritant which may cause inflammation to the skin or other mucous membranes. This chemical is harmful if contact with skin and it will cause burns. For another thing, it is corrosive which may destroy living tissue on contact. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice, and if in case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1CC(CC=C1)C(=O)O
(2)InChI: InChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,8,9)
(3)InChIKey: VUSWCWPCANWBFG-UHFFFAOYSA-N 

Below are the toxicity information of this chemical: