2-Pentylcyclohexan-1-one supplier

Name
2-pentylcyclohexan-1-one
EINECS 251-016-1
CAS No. 32362-97-3
Article Data15
CAS DataBase
Density 0.885g/cm³
Solubility
Melting Point
Formula C₁₁H₂₀O
Boiling Point 237.1 °C at 760 mmHg
Molecular Weight 168.279
Flash Point 89.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Amylcyclohexanone;2-Pentylcyclohexanone;2-n-Amylcyclohexanone;
PSA 17.07000
LogP 3.32600

2-Pentylcyclohexan-1-one Specification

The 2-Pentylcyclohexan-1-one, with CAS registry number 32362-97-3, has the systematic name of 2-pentylcyclohexanone. And its IUPAC name is 2-pentylcyclohexan-1-one. And the chemical formula of this chemical is C₁₁H₂₀O. What's more, its EINECS is 251-016-1.

Physical properties of 2-Pentylcyclohexan-1-one: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.38; (4)ACD/LogD (pH 7.4): 3.38; (5)ACD/BCF (pH 5.5): 218.03; (6)ACD/BCF (pH 7.4): 218.03; (7)ACD/KOC (pH 5.5): 1642.55; (8)ACD/KOC (pH 7.4): 1642.55; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.449; (14)Molar Refractivity: 51.02 cm³; (15)Molar Volume: 190 cm³; (16)Polarizability: 20.22×10^-24cm³; (17)Surface Tension: 29.8 dyne/cm; (18)Density: 0.885 g/cm³; (19)Flash Point: 89.9 °C; (20)Enthalpy of Vaporization: 47.39 kJ/mol; (21)Boiling Point: 237.1 °C at 760 mmHg ; (22)Vapour Pressure: 0.0458 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCCCC1CCCCC
(2)InChI: InChI=1/C11H20O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h10H,2-9H2,1H3
(3)InChIKey: UXJMXERXJQAWSP-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C11H20O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h10H,2-9H2,1H3
(5)Std. InChIKey: UXJMXERXJQAWSP-UHFFFAOYSA-N

Product Name

2-pentylcyclohexan-1-one

2-Pentylcyclohexan-1-one Specification

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