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ChemicalBook--->CAS DataBase List--->3681-78-5

3681-78-5

3681-78-5 Structure

3681-78-5 Structure
IdentificationBack Directory
[Name]

PROPYL LAURATE
[CAS]

3681-78-5
[Synonyms]

PROPYL LAURATE
Propyl dodecanoate
lauricacidpropylester
dodecanoicacidpropylester
Dodecanoic acid, propyl ester
Lauric acid propyl ester, Propyl laurate
[EINECS(EC#)]

222-961-7
[Molecular Formula]

C15H30O2
[MDL Number]

MFCD00056190
[MOL File]

3681-78-5.mol
[Molecular Weight]

242.4
Chemical PropertiesBack Directory
[Melting point ]

4.2°C (estimate)
[Boiling point ]

285.23°C (estimate)
[density ]

0.86 g/mL at 25 °C(lit.)
[refractive index ]

1.4335
[storage temp. ]

−20°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Oil
[color ]

Colourless
[LogP]

6.110
[CAS DataBase Reference]

3681-78-5
Hazard InformationBack Directory
[Uses]

Propyl dodecanoate is an ester product.
[Synthesis]

1-Propanol

71-23-8

VINYL LAURATE

2146-71-6

PROPYL LAURATE

3681-78-5

The general procedure for the synthesis of propyl dodecanoate from n-propanol and vinyl laurate is as follows: enzymatic synthesis in a 50 mL high pressure reactor. The reactor was equipped with a pressure reading controller and a JASCO-PU-2080-CO2 plus regulator. First, a predetermined amount of vinyl laurate was added to the reactor, followed by a predetermined amount of n-propanol. Next, a fixed amount of PVA/CHI lipase was added to initiate the reaction, followed by sealing the reactor and assembling it into an SC-CO2 high pressure reaction system. Liquid SC-CO2 was pumped into the reactor at a flow rate of 3.5 mL/min. The reaction was carried out for a predetermined time at a specific pressure (MPa) and temperature (°C) set by the RSM software. Upon completion of the reaction, the SC-CO2 pressure was slowly released through a 50°C thermostatic limiter to allow the residual material inside the reactor to flow out with the CO2. The reaction products were subsequently analyzed by Perkin-Elmer Clarus-400 gas chromatography (GC) equipped with a flame ionization detector (FID) and a capillary column.The oven temperature program for the GC was to maintain an initial temperature of 90 °C for 4 min, and then increase the temperature at a rate of 10 °C/min to 240 °C. The GC was then operated at a constant temperature of 50 °C, and the temperature was increased by a Shimadzu QC. In addition, the products were further confirmed by gas chromatography-mass spectrometry (GC-MS) on a Shimadzu QP-2010 instrument.

[References]

[1] Process Biochemistry, 2015, vol. 50, # 8, p. 1224 - 1236
Spectrum DetailBack Directory
[Spectrum Detail]

PROPYL LAURATE(3681-78-5)13CNMR
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