CAS No.38792-89-1,N-PENTYLCYCLOHEXANE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	38792-89-1
Name:	N-PENTYLCYCLOHEXANE
Article Data:	10

Formula:	C₁₂H₂₂O₂
Molecular Weight:	198.305
Synonyms:	Cyclohexanecarboxylic acid, 4-pentyl-;4-pentylcyclohexane-1-carboxylic acid;4-Pentylcyclohexanecarboxylic acid;
Density:	0.963 g/cm³
Boiling Point:	304.6 °C at 760 mmHg
Flash Point:	147.4 °C
PSA:	37.30000
LogP:	3.45770

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Specification

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,