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Propanoic acid,3-butoxy-, butyl ester

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Name

Propanoic acid,3-butoxy-, butyl ester

EINECS N/A
CAS No. 14144-48-0 Density 0.92 g/cm3
PSA 35.53000 LogP 2.53650
Solubility 799.4mg/L(25 oC) Melting Point N/A
Formula C11H22O3 Boiling Point 267.734 °C at 760 mmHg
Molecular Weight 202.294 Flash Point 92.124 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 14144-48-0 (butyl 3-butoxypropanoate) Hazard Symbols N/A
Synonyms

Propionic acid,3-butoxy-, butyl ester (6CI,7CI,8CI);3-n-Butoxypropionic acid butyl ester;Butyl b-butoxypropionate;

 

Propanoic acid,3-butoxy-, butyl ester Synthetic route

57-57-8

β-Propiolactone

71-36-3

butan-1-ol

14144-48-0

butyl 3-butoxypropionate

Conditions
ConditionsYield
With sulfuric acid
141-32-2

acrylic acid n-butyl ester

2372-45-4

sodium butanolate

14144-48-0

butyl 3-butoxypropionate

292638-85-8

acrylic acid methyl ester

2372-45-4

sodium butanolate

14144-48-0

butyl 3-butoxypropionate

3852-09-3

methyl 3-methoxypropionate

71-36-3

butan-1-ol

A

4195-88-4

butyl β-methoxypropionate

B

14144-48-0

butyl 3-butoxypropionate

Conditions
ConditionsYield
With sodium butanolate
141-32-2

acrylic acid n-butyl ester

71-36-3

butan-1-ol

14144-48-0

butyl 3-butoxypropionate

Conditions
ConditionsYield
in Gegenwart eines basischen Anionenaustauschers;
With calcium hydroxide at 50℃; Product distribution / selectivity;
3840-67-3

sulfuric acid mono-(2-carbamoyl-ethyl) ester

71-36-3

butan-1-ol

14144-48-0

butyl 3-butoxypropionate

3-Bromo-propionimidic acid butyl ester; hydrochloride

71-36-3

butan-1-ol

14144-48-0

butyl 3-butoxypropionate

503-66-2

3-hydroxypropionic acid

71-36-3

butan-1-ol

A

141-32-2

acrylic acid n-butyl ester

B

4890-38-4

butyl-β-hydroxy propionate

C

14144-48-0

butyl 3-butoxypropionate

Conditions
ConditionsYield
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;
79-10-7

acrylic acid

71-36-3

butan-1-ol

A

141-32-2

acrylic acid n-butyl ester

B

14144-48-0

butyl 3-butoxypropionate

C

39181-89-0

n-butyl β-acryloxypropionate

Conditions
ConditionsYield
With 10H-phenothiazine at 107.8 - 117.4℃; under 9.976 Torr; for 0.25h; Product distribution / selectivity; dispersant Beycostat FB095;
79-10-7

acrylic acid

71-36-3

butan-1-ol

A

141-32-2

acrylic acid n-butyl ester

B

14144-48-0

butyl 3-butoxypropionate

Conditions
ConditionsYield
With 10H-phenothiazine; sulfuric acid In water at 80 - 100℃; under 90 - 620 Torr; for 2 - 3.5h; Product distribution / selectivity;

Propanoic acid,3-butoxy-, butyl ester Specification

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

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