Ethyl 3-ethoxypropionate (763-69-9)

The Ethyl .beta.-ethoxypropionate, with the CAS registry number 763-69-9, has the IUPAC name of ethyl 3-ethoxypropanoate. For a kind of clear liquid with an ester-like odor, this chemical is stable under normal temperatures and pressures but incompatibilities with strong oxidizing agents and it could react with acids to liberate heat along with alcohols and acids.

The characteristics of this chemical are as below: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.25; (4)ACD/LogD (pH 7.4): 1.25; (5)ACD/BCF (pH 5.5): 5.25; (6)ACD/BCF (pH 7.4): 5.25; (7)ACD/KOC (pH 5.5): 113.99; (8)ACD/KOC (pH 7.4): 113.99; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 35.53; (13)Index of Refraction: 1.408; (14)Molar Refractivity: 37.99 cm³; (15)Molar Volume: 153.9 cm³; (16)Polarizability: 15.06 ×10^-24 cm³; (17)Surface Tension: 28.3 dyne/cm; (18)Density: 0.949 g/cm³; (19)Flash Point: 52.2 °C; (20)Enthalpy of Vaporization: 40.27 kJ/mol; (21)Boiling Point: 166.2 °C at 760 mmHg; (22)Vapour Pressure: 1.8 mmHg at 25°C; (23)Exact Mass: 146.094294; (24)MonoIsotopic Mass: 146.094294; (25)Topological Polar Surface Area: 35.5; (26)Heavy Atom Count: 10; (27)Complexity: 90.9.

When you are dealing with this chemical, you should be careful. For one part, it is irritant which may cause inflammation to the skin or other mucous membranes. And it is irritating to eyes and may then cause explosive peroxides. For another part, it is dangerous for the environment which may present an immediate or delayed danger to one or more components of the environment. When you are contacting, avoid contacting with eyes directly. 

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CCOCCC(=O)OCC
(2)InChI: InChI=1S/C7H14O3/c1-3-9-6-5-7(8)10-4-2/h3-6H2,1-2H3
(3)InChIKey: BHXIWUJLHYHGSJ-UHFFFAOYSA-N 

Below are the toxicity information of this chemical:

The Ethyl .beta.-ethoxypropionate, with the CAS registry number 763-69-9, has the IUPAC name of ethyl 3-ethoxypropanoate. For a kind of clear liquid with an ester-like odor, this chemical is stable under normal temperatures and pressures but incompatibilities with strong oxidizing agents and it could react with acids to liberate heat along with alcohols and acids.

The characteristics of this chemical are as below: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.25; (4)ACD/LogD (pH 7.4): 1.25; (5)ACD/BCF (pH 5.5): 5.25; (6)ACD/BCF (pH 7.4): 5.25; (7)ACD/KOC (pH 5.5): 113.99; (8)ACD/KOC (pH 7.4): 113.99; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 35.53; (13)Index of Refraction: 1.408; (14)Molar Refractivity: 37.99 cm³; (15)Molar Volume: 153.9 cm³; (16)Polarizability: 15.06 ×10^-24 cm³; (17)Surface Tension: 28.3 dyne/cm; (18)Density: 0.949 g/cm³; (19)Flash Point: 52.2 °C; (20)Enthalpy of Vaporization: 40.27 kJ/mol; (21)Boiling Point: 166.2 °C at 760 mmHg; (22)Vapour Pressure: 1.8 mmHg at 25°C; (23)Exact Mass: 146.094294; (24)MonoIsotopic Mass: 146.094294; (25)Topological Polar Surface Area: 35.5; (26)Heavy Atom Count: 10; (27)Complexity: 90.9.

When you are dealing with this chemical, you should be careful. For one part, it is irritant which may cause inflammation to the skin or other mucous membranes. And it is irritating to eyes and may then cause explosive peroxides. For another part, it is dangerous for the environment which may present an immediate or delayed danger to one or more components of the environment. When you are contacting, avoid contacting with eyes directly. 

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CCOCCC(=O)OCC
(2)InChI: InChI=1S/C7H14O3/c1-3-9-6-5-7(8)10-4-2/h3-6H2,1-2H3
(3)InChIKey: BHXIWUJLHYHGSJ-UHFFFAOYSA-N 

Below are the toxicity information of this chemical: