CAS No.5736-89-0,4'-BUTOXYACETOPHENONE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	5736-89-0
Name:	4'-BUTOXYACETOPHENONE
Article Data:	40

Formula:	C₁₂H₁₆O₂
Molecular Weight:	192.258
Synonyms:	Acetophenone,4'-butoxy- (8CI);1-(4-Butoxyphenyl)ethanone;4'-Butoxyacetophenone;NSC 91024;p-Butoxyacetophenone;
EINECS:	227-248-4
Density:	0.988 g/cm³
Melting Point:	25-27 °C
Boiling Point:	304.2 °C at 760 mmHg
Flash Point:	129.5 °C
Hazard Symbols:	Xi
Risk Codes:	36/38
Safety:	26-36
PSA:	26.30000
LogP:	3.06810

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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 C₁₂H₁₆O₂and 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