4-Propylcyclohexanecarboxylic acid supplier

Name
4-Propylcyclohexanecarboxylic acid
EINECS
CAS No. 70928-91-5
Density 0.985 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₈O₂
Boiling Point 270.3 °C at 760 mmHg
Molecular Weight 170.252
Flash Point 129.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-n-propyl-cyclohexane carboxylic acid;cyclohexanecarboxylic acid, 4-propyl-;
PSA 37.30000
LogP 2.67750

4-Propylcyclohexanecarboxylic acid Specification

The 4-Propylcyclohexanecarboxylic acid, with the CAS registry number 70928-91-5, is also called 4-n-propyl-cyclohexane carboxylic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₀H₁₈O₂.

The characteristics of 4-Propylcyclohexanecarboxylic acid are as followings: (1)ACD/LogP: 3.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.73; (4)ACD/LogD (pH 7.4): 0.98; (5)ACD/BCF (pH 5.5): 50.7; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 391.73; (8)ACD/KOC (pH 7.4): 6.85; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.464; (14)Molar Refractivity: 47.73 cm³; (15)Molar Volume: 172.7 cm³; (16)Polarizability: 18.92×10^-24cm³; (17)Surface Tension: 34.6 dyne/cm; (18)Density: 0.985 g/cm³; (19)Flash Point: 129.5 °C; (20)Enthalpy of Vaporization: 55.97 kJ/mol; (21)Boiling Point: 270.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00195 mmHg at 25°C.

Uses of 4-Propylcyclohexanecarboxylic acid: It can react with 4-ethynyl-phenol to produce 4-propyl-cyclohexanecarboxylic acid 4-ethynyl-phenyl ester. This reaction will need reagent DMAP and DCC, and the menstruum CH₂Cl₂. The reaction temperature is 20°C, and the yield is about 75%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)C1CCC(CCC)CC1
(2)InChI: InChI=1/C10H18O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h8-9H,2-7H2,1H3,(H,11,12)
(3)InChIKey: QCNUKEGGHOLBES-UHFFFAOYAF

Product Name

4-Propylcyclohexanecarboxylic acid

4-Propylcyclohexanecarboxylic acid Specification

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