Name: 4'-n-Amylacetophenone
SKU: 37593-02-5

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Basic Information

Molecular Structure:
CAS No.:	37593-02-5
Name:	4'-n-Amylacetophenone
Article Data:	9

Formula:	C₁₃H₁₈O
Molecular Weight:	190.285
Synonyms:	Acetophenone,4'-pentyl- (7CI);1-(4-Pentylphenyl)ethanone;4-Pentylacetophenone;4'-Pentylacetophenone;NSC 172891;p-Pentylacetophenone;p-n-Pentylacetophenone;
Density:	0.935 g/cm³
Boiling Point:	292.1 °C at 760 mmHg
Flash Point:	120.3 °C
Appearance:	Clear colorless to light yellow liquid, aromatic odor
Hazard Symbols:	Xi,Xn
Risk Codes:	R20/21/22; R36/37/38
PSA:	17.07000
LogP:	3.62190

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Specification

The Ethanone,1-(4-pentylphenyl)-, with CAS registry number 37593-02-5, belongs to the following product categories: (1)Acetophenones (Building Blocks for Liquid Crystals); (2)Building Blocks for Liquid Crystals; (3)Functional Materials. Its systematic name and its IUPAC name are the same, which is 1-(4-pentylphenyl)ethanone. And the chemical formula of this chemical is C₁₃H₁₈O.

Physical properties of Ethanone,1-(4-pentylphenyl)-: (1)ACD/LogP: 4.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.25; (4)ACD/LogD (pH 7.4): 4.25; (5)ACD/BCF (pH 5.5): 1000.73; (6)ACD/BCF (pH 7.4): 1000.73; (7)ACD/KOC (pH 5.5): 4889.07; (8)ACD/KOC (pH 7.4): 4889.07; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 59.72 cm³; (15)Molar Volume: 203.3 cm³; (16)Polarizability: 23.67×10^-24cm³; (17)Surface Tension: 33.3 dyne/cm; (18)Enthalpy of Vaporization: 53.16 kJ/mol; (19)Vapour Pressure: 0.00187 mmHg at 25°C.

Uses of Ethanone,1-(4-pentylphenyl)-: it can be used to produce 1,3-bis-(4-pentyl-phenyl)-propane-1,3-dione. This reaction will need reagent NaOH. The yield is about 88%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(cc1)CCCCC)C
(2)InChI: InChI=1/C13H18O/c1-3-4-5-6-12-7-9-13(10-8-12)11(2)14/h7-10H,3-6H2,1-2H3
(3)InChIKey: KBKGPMDADJLBEM-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C13H18O/c1-3-4-5-6-12-7-9-13(10-8-12)11(2)14/h7-10H,3-6H2,1-2H3
(5)Std. InChIKey: KBKGPMDADJLBEM-UHFFFAOYSA-N