Name: 4'-Ethoxyacetophenone
SKU: 1676-63-7

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Basic Information

Molecular Structure:
CAS No.:	1676-63-7
Name:	4'-Ethoxyacetophenone
Article Data:	65

Formula:	C₁₀H₁₂O₂
Molecular Weight:	164.204
Synonyms:	Acetophenone,4'-ethoxy- (6CI,7CI,8CI);1-(4-Ethoxyphenyl)ethanone;NSC 403850;NSC 406258;p-Ethoxyacetophenone;4-Ethoxyacetophenone;
EINECS:	216-825-6
Density:	1.016 g/cm³
Melting Point:	37-39 °C(lit.)
Boiling Point:	272.3 °C at 760 mmHg
Flash Point:	118.8 °C
Solubility:	Soluble in alcohol, water(791.1 mg/L).
Appearance:	white to yellow crystals and chunks
Hazard Symbols:	Xi; T
Risk Codes:	36/37/38-26-22
Safety:	26-36/37/39-45-28
PSA:	26.30000
LogP:	2.28790

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Specification

The Ethanone,1-(4-ethoxyphenyl)-, with CAS registry number 1676-63-7, belongs to the following product categories: (1)Aromatic Acetophenones & Derivatives (substituted); (2)Acetophenone; (3)Organic Photoinitiators; (4)Polymerization Initiators. It has the systematic name of 1-(4-ethoxyphenyl)ethanone. This chemical is a kind of white to yellow crystals and chunks.

Physical properties of Ethanone,1-(4-ethoxyphenyl)-: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.27; (4)ACD/LogD (pH 7.4): 2.27; (5)ACD/BCF (pH 5.5): 31.35; (6)ACD/BCF (pH 7.4): 31.35; (7)ACD/KOC (pH 5.5): 409.84; (8)ACD/KOC (pH 7.4): 409.84; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 47.59 cm³; (15)Molar Volume: 161.4 cm³; (16)Polarizability: 18.86×10^-24cm³; (17)Surface Tension: 33.6 dyne/cm; (18)Enthalpy of Vaporization: 51.06 kJ/mol; (19)Vapour Pressure: 0.00612 mmHg at 25°C.

Preparation: this chemical can be prepared by acetic acid anhydride and ethoxybenzene. This reaction will need reagent sulfuric acid. The reaction temperature is 100 - 110 °C.

Uses of Ethanone,1-(4-ethoxyphenyl)-: it can be used to produce 4-(4-ethoxy-phenyl)-thiazol-2-ylamine. This reaction will need reagent iodine and solvent ethanol. The reaction time is 14 hour(s). The yield is about 92%.

When you are using this chemical, please be cautious about it as the following:
The Ethanone,1-(4-ethoxyphenyl)- irritates to eyes, respiratory system and skin. This chemical is harmful if swallowed and very toxic by inhalation. After contact with skin, please wash immediately with plenty of soap-suds. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(OCC)cc1)C
(2)InChI: InChI=1/C10H12O2/c1-3-12-10-6-4-9(5-7-10)8(2)11/h4-7H,3H2,1-2H3
(3)InChIKey: YJFNFQHMQJCPRG-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C10H12O2/c1-3-12-10-6-4-9(5-7-10)8(2)11/h4-7H,3H2,1-2H3
(5)Std. InChIKey: YJFNFQHMQJCPRG-UHFFFAOYSA-N