CAS No.1551-43-5,CYCLOHEXYL VALERATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1551-43-5
Name:	CYCLOHEXYL VALERATE
Article Data:	15

Formula:	C₁₁H₂₀O₂
Molecular Weight:	184.279
Synonyms:	Valericacid, cyclohexyl ester (6CI,7CI,8CI);Cyclohexyl valerate;NSC 53957;Cyclohexyl pentanoate;
EINECS:	216-289-3
Density:	0.94 g/cm³
Boiling Point:	232.2 °C at 760 mmHg
Flash Point:	87.1 °C
Appearance:	Colorless liquid
PSA:	26.30000
LogP:	3.05250

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Specification

The Pentanoic acid,cyclohexyl ester, with the CAS registry number 1551-43-5, is also known as Cyclohexyl valerate. This chemical's molecular formula is C₁₁H₂₀O₂ and molecular weight is 184.28. What's more, its systematic name is Cyclohexyl pentanoate and its EINECS number is 216-289-3. The product should be sealed and stored in containers with dry inert gas which are placed in cool and dry places. It should be protected from oxidizers and it should be ensured that the workshop is well ventilated or equipped with exhaust device.

Physical properties of Pentanoic acid,cyclohexyl ester are: (1)ACD/LogP: 3.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.83; (4)ACD/LogD (pH 7.4): 3.83; (5)ACD/BCF (pH 5.5): 480.04; (6)ACD/BCF (pH 7.4): 480.04; (7)ACD/KOC (pH 5.5): 2889.77; (8)ACD/KOC (pH 7.4): 2889.77; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.451; (14)Molar Refractivity: 52.76 cm³; (15)Molar Volume: 195.7 cm³; (16)Polarizability: 20.91×10^-24cm³; (17)Surface Tension: 31.7 dyne/cm; (18)Density: 0.94 g/cm³; (19)Flash Point: 87.1 °C; (20)Enthalpy of Vaporization: 46.88 kJ/mol; (21)Boiling Point: 232.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0599 mmHg at 25°C; (23)XLogP3-AA: 3.3; (24)Heavy Atom Count: 13; (25)Complexity: 148.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCC(=O)OC1CCCCC1
(2)InChI: InChI=1S/C11H20O2/c1-2-3-9-11(12)13-10-7-5-4-6-8-10/h10H,2-9H2,1H3
(3)InChIKey: YLCHTSSXNSNXSW-UHFFFAOYSA-N