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CAS No.: | 14144-48-0 |
---|---|
Name: | butyl 3-butoxypropanoate |
Molecular Structure: | |
Formula: | C11H22O3 |
Molecular Weight: | 202.294 |
Synonyms: | Propionic acid,3-butoxy-, butyl ester (6CI,7CI,8CI);3-n-Butoxypropionic acid butyl ester;Butyl b-butoxypropionate; |
Density: | 0.92 g/cm3 |
Boiling Point: | 267.734 °C at 760 mmHg |
Flash Point: | 92.124 °C |
Solubility: | 799.4mg/L(25 oC) |
PSA: | 35.53000 |
LogP: | 2.53650 |
Conditions | Yield |
---|---|
With sulfuric acid |
methyl 3-methoxypropionate
butan-1-ol
A
butyl β-methoxypropionate
B
butyl 3-butoxypropionate
Conditions | Yield |
---|---|
With sodium butanolate |
Conditions | Yield |
---|---|
in Gegenwart eines basischen Anionenaustauschers; | |
With calcium hydroxide at 50℃; Product distribution / selectivity; |
sulfuric acid mono-(2-carbamoyl-ethyl) ester
butan-1-ol
butyl 3-butoxypropionate
butan-1-ol
butyl 3-butoxypropionate
3-hydroxypropionic acid
butan-1-ol
A
acrylic acid n-butyl ester
B
butyl-β-hydroxy propionate
C
butyl 3-butoxypropionate
Conditions | Yield |
---|---|
magnesium hydroxide In water at 220℃; under 2585.81 Torr; for 1.6h; Product distribution / selectivity; | A 47 %Chromat. B 5 %Chromat. C 48 %Chromat. |
sodium hydroxide In water at 220℃; under 2585.81 Torr; for 1.6h; Product distribution / selectivity; | |
calcium hydroxide In water at 220℃; under 2585.81 Torr; for 1.6h; Product distribution / selectivity; |
acrylic acid
butan-1-ol
A
acrylic acid n-butyl ester
B
butyl 3-butoxypropionate
C
n-butyl β-acryloxypropionate
Conditions | Yield |
---|---|
With 10H-phenothiazine at 107.8 - 117.4℃; under 9.976 Torr; for 0.25h; Product distribution / selectivity; dispersant Beycostat FB095; |
acrylic acid
butan-1-ol
A
acrylic acid n-butyl ester
B
butyl 3-butoxypropionate
Conditions | Yield |
---|---|
With 10H-phenothiazine; sulfuric acid In water at 80 - 100℃; under 90 - 620 Torr; for 2 - 3.5h; Product distribution / selectivity; |
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The Propanoic acid,3-butoxy-, butyl ester, with the CAS registry number 14144-48-0, is also known as 3-butoxy-propionic acid butyl ester. This chemical's molecular formula is C11H22O3 and molecular weight is 202.29. What's more, both its IUPAC name and systematic name are the same which is called Butyl 3-butoxypropanoate.
Physical properties about Propanoic acid,3-butoxy-, butyl ester are: (1)ACD/LogP: 3.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.12; (4)ACD/LogD (pH 7.4): 3.12; (5)ACD/BCF (pH 5.5): 138.36; (6)ACD/BCF (pH 7.4): 138.36; (7)ACD/KOC (pH 5.5): 1186.13; (8)ACD/KOC (pH 7.4): 1186.13; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.427; (14)Molar Refractivity: 56.53 cm3; (15)Molar Volume: 219.954 cm3; (16)Polarizability: 22.41×10-24cm3; (17)Surface Tension: 29.864 dyne/cm; (18)Density: 0.92 g/cm3; (19)Flash Point: 92.124 °C; (20)Enthalpy of Vaporization: 50.578 kJ/mol; (21)Boiling Point: 267.734 °C at 760 mmHg; (22)Vapour Pressure: 0.008 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCCC)CCOCCCC
(2) InChI: InChI=1S/C11H22O3/c1-3-5-8-13-10-7-11(12)14-9-6-4-2/h3-10H2,1-2H3
(3) InChIKey: BMOACRKLCOIODC-UHFFFAOYSA-N