Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-n-Pentylcyclohexane carboxylic acid |
EINECS | N/A |
CAS No. | 38792-89-1 | Density | 0.963 g/cm3 |
PSA | 37.30000 | LogP | 3.45770 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H22O2 | Boiling Point | 304.6 °C at 760 mmHg |
Molecular Weight | 198.305 | Flash Point | 147.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Cyclohexanecarboxylic acid, 4-pentyl-;4-pentylcyclohexane-1-carboxylic acid;4-Pentylcyclohexanecarboxylic acid; |
Article Data | 10 |
The 4-n-Pentylcyclohexane carboxylic acid is an organic compound with the formula C12H22O2. The IUPAC name of this chemical is 4-pentylcyclohexane-1-carboxylic acid. With the CAS registry number 38792-89-1, it is also named as cyclohexanecarboxylic acid, 4-pentyl-.
Physical properties about 4-n-Pentylcyclohexane carboxylic acid are: (1)ACD/LogP: 4.39; (2)ACD/LogD (pH 5.5): 3.81; (3)ACD/LogD (pH 7.4): 2.05; (4)ACD/BCF (pH 5.5): 333.54; (5)ACD/BCF (pH 7.4): 5.87; (6)ACD/KOC (pH 5.5): 1518.96; (7)ACD/KOC (pH 7.4): 26.75; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.466; (13)Molar Refractivity: 57 cm3; (14)Molar Volume: 205.7 cm3; (15)Polarizability: 22.59×10-24cm3; (16)Surface Tension: 34.6 dyne/cm; (17)Density: 0.963 g/cm3; (18)Flash Point: 147.4 °C; (19)Enthalpy of Vaporization: 59.94 kJ/mol; (20)Boiling Point: 304.6 °C at 760 mmHg; (21)Vapour Pressure: 0.000198 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C1CCC(CCCCC)CC1
(2)InChI: InChI=1/C12H22O2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h10-11H,2-9H2,1H3,(H,13,14)
(3)InChIKey: RVLAXPQGTRTHEV-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C12H22O2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h10-11H,2-9H2,1H3,(H,13,14)
(5)Std. InChIKey: RVLAXPQGTRTHEV-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 18mg/kg (18mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#10077, |