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Ethanone,1-(4-butoxyphenyl)-

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Ethanone,1-(4-butoxyphenyl)-

EINECS 227-248-4
CAS No. 5736-89-0 Density 0.988 g/cm3
PSA 26.30000 LogP 3.06810
Solubility N/A Melting Point 25-27 °C
Formula C12H16O2 Boiling Point 304.2 °C at 760 mmHg
Molecular Weight 192.258 Flash Point 129.5 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/38
Molecular Structure Molecular Structure of 5736-89-0 (4'-BUTOXYACETOPHENONE) Hazard Symbols IrritantXi
Synonyms

Acetophenone,4'-butoxy- (8CI);1-(4-Butoxyphenyl)ethanone;4'-Butoxyacetophenone;NSC 91024;p-Butoxyacetophenone;

Article Data 40

Ethanone,1-(4-butoxyphenyl)- Specification

The CAS register number of Ethanone,1-(4-butoxyphenyl)- is 5736-89-0. It also can be called as 4-Butoxyacetophenone and the IUPAC name about this chemical is 1-(4-butoxyphenyl)ethanone. The molecular formula about this chemical is C12H16O2 and the molecular weight is 192.25. It belongs to the following product categories which include Aromatic Acetophenones & Derivatives (substituted); Adehydes, Acetals & Ketones; Anisoles, Alkyloxy Compounds & Phenylacetates; Acetophenones (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials; C11 to C12; Carbonyl Compounds; Ketones and so on.

Physical properties about Ethanone,1-(4-butoxyphenyl)- are: (1)ACD/LogP: 3.33; (2)ACD/LogD (pH 5.5): 3.33; (3)ACD/LogD (pH 7.4): 3.33; (4)ACD/BCF (pH 5.5): 201.32; (5)ACD/BCF (pH 7.4): 201.32; (6)ACD/KOC (pH 5.5): 1551.4; (7)ACD/KOC (pH 7.4): 1551.4; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 26.3Å2; (11)Index of Refraction: 1.496; (12)Molar Refractivity: 56.85 cm3; (13)Molar Volume: 194.4 cm3; (14)Polarizability: 22.54x10-24cm3; (15)Surface Tension: 33.6 dyne/cm; (16)Enthalpy of Vaporization: 54.45 kJ/mol; (17)Boiling Point: 304.2 °C at 760 mmHg; (18)Vapour Pressure: 0.000888 mmHg at 25°C.

Preparation: this chemical can be prepared by acetic acid anhydride and butoxybenzene. This reaction will need reagent ZnCl2.

Uses of Ethanone,1-(4-butoxyphenyl)-: it can be used to produce 1,3-bis-(4-butoxy-phenyl)-propane-1,3-dione with 4-butoxy-benzoic acid ethyl ester. This reaction will need reagent NaH.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(OCCCC)cc1)C
(2)InChI: InChI=1/C12H16O2/c1-3-4-9-14-12-7-5-11(6-8-12)10(2)13/h5-8H,3-4,9H2,1-2H3
(3)InChIKey: YYLCJWIQUFHYMY-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C12H16O2/c1-3-4-9-14-12-7-5-11(6-8-12)10(2)13/h5-8H,3-4,9H2,1-2H3
(5)Std. InChIKey: YYLCJWIQUFHYMY-UHFFFAOYSA-N

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