4-Ethylphenol (123-07-9)

The 4-Ethylphenol, with its CAS registry number 123-07-9, has the systematic name of Phenol, 4-ethyl-. For being a kind of off-white solid, it is stable chemically while incompatible with acid chlorides, acid anhydrides, oxidizing agents. Besides, it is slightly soluble in water, and easily soluble in alcohol, diethyl ether, benzene and carbon disulfide.

The characteristics of this chemical are as follows: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.47; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 44.64; (6)ACD/BCF (pH 7.4): 44.58; (7)ACD/KOC (pH 5.5): 527.86; (8)ACD/KOC (pH 7.4): 527.13; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 37.68 cm³; (15)Molar Volume: 120.6 cm³; (16)Polarizability: 14.93×10^-24 cm³; (17)Surface Tension: 37.6 dyne/cm; (18)Density: 1.012 g/cm³; (19)Flash Point: 100.6 °C; (20)Enthalpy of Vaporization: 47.39 kJ/mol; (21)Boiling Point: 219 °C at 760 mmHg; (22)Vapour Pressure: 0.0828 mmHg at 25°C; (23)Exact Mass: 122.073165; (24)MonoIsotopic Mass: 122.073165; (25)Topological Polar Surface Area: 20.2; (26)Heavy Atom Count: 9; (27)Complexity: 72.6.

Production method of this chemical: 1-(4-hydroxy-phenyl)-ethanone could react to produce 4-ethyl-phenol. This reaction could happen in the presence of the N₂H₄+H₂O and KOH.

Use of this chemical: 4-Ethylphenol could react with sulfuric acid dimethyl ester to produce 4-ethyl-anisole. This reaction could happen in the presence of the reagent of aq. KOH and the solvent of H₂O.

When you are dealing with this chemical, you should be very cautious. For one thing, it is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. For another thing, it is corrosive which may destroy living tissue on contact. Therefore, you should wear suitable protective clothing, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CCC1=CC=C(C=C1)O
(2)InChI: InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3
(3)InChIKey: HXDOZKJGKXYMEW-UHFFFAOYSA-N 

Below are the toxicity information of this chemical:

The 4-Ethylphenol, with its CAS registry number 123-07-9, has the systematic name of Phenol, 4-ethyl-. For being a kind of off-white solid, it is stable chemically while incompatible with acid chlorides, acid anhydrides, oxidizing agents. Besides, it is slightly soluble in water, and easily soluble in alcohol, diethyl ether, benzene and carbon disulfide.

The characteristics of this chemical are as follows: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.47; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 44.64; (6)ACD/BCF (pH 7.4): 44.58; (7)ACD/KOC (pH 5.5): 527.86; (8)ACD/KOC (pH 7.4): 527.13; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 37.68 cm³; (15)Molar Volume: 120.6 cm³; (16)Polarizability: 14.93×10^-24 cm³; (17)Surface Tension: 37.6 dyne/cm; (18)Density: 1.012 g/cm³; (19)Flash Point: 100.6 °C; (20)Enthalpy of Vaporization: 47.39 kJ/mol; (21)Boiling Point: 219 °C at 760 mmHg; (22)Vapour Pressure: 0.0828 mmHg at 25°C; (23)Exact Mass: 122.073165; (24)MonoIsotopic Mass: 122.073165; (25)Topological Polar Surface Area: 20.2; (26)Heavy Atom Count: 9; (27)Complexity: 72.6.

Production method of this chemical: 1-(4-hydroxy-phenyl)-ethanone could react to produce 4-ethyl-phenol. This reaction could happen in the presence of the N₂H₄+H₂O and KOH.

Use of this chemical: 4-Ethylphenol could react with sulfuric acid dimethyl ester to produce 4-ethyl-anisole. This reaction could happen in the presence of the reagent of aq. KOH and the solvent of H₂O.

When you are dealing with this chemical, you should be very cautious. For one thing, it is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. For another thing, it is corrosive which may destroy living tissue on contact. Therefore, you should wear suitable protective clothing, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CCC1=CC=C(C=C1)O
(2)InChI: InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3
(3)InChIKey: HXDOZKJGKXYMEW-UHFFFAOYSA-N 

Below are the toxicity information of this chemical: