| Identification | Back Directory | [Name]
DODECANEDIOIC ACID MONOMETHYL ESTER | [CAS]
3903-40-0 | [Synonyms]
NSC 29000
MONOMETHYL-DODECANEDIOATE
Methyl 11-Carboxyundecanoate
MonoMethyl 1,12-Dodecanedioate
12-keto-12-methoxy-lauric acid
11-CarboMethoxyundecanoic Acid
MONOMETHYL DODECANE-1,12-DIOATE
12-methoxy-12-oxododecanoic acid
12-methoxy-12-oxo-dodecanoic acid
Dodecanedioic Acid 1-Methyl Ester
DODECANEDIOIC ACID MONOMETHYL ESTER
Dodecanedioic acid Monobenzyl ester
METHYL HYDROGEN DODECANE-1,12-DIOATE
1,12-Dodecanedioic acid monomethyl ester | [Molecular Formula]
C13H24O4 | [MDL Number]
MFCD00053323 | [MOL File]
3903-40-0.mol | [Molecular Weight]
244.33 |
| Chemical Properties | Back Directory | [Melting point ]
51.5-52 °C | [Boiling point ]
170 °C(Press: 3 Torr) | [density ]
1.012±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
DMSO (Slightly, Heated), Methanol (Slightly) | [form ]
Solid | [pka]
4.78±0.10(Predicted) | [color ]
White | [InChI]
InChI=1S/C13H24O4/c1-17-13(16)11-9-7-5-3-2-4-6-8-10-12(14)15/h2-11H2,1H3,(H,14,15) | [InChIKey]
REGGDLIBDASKGE-UHFFFAOYSA-N | [SMILES]
C(OC)(=O)CCCCCCCCCCC(O)=O |
| Hazard Information | Back Directory | [Chemical Properties]
White Solid | [Uses]
Dodecanedioic Acid 1-Methyl Ester is used in cosmetic composition.
| [Uses]
Used in cosmetic compositions. | [Synthesis]
Synthesis of compound 2: To a stirred solution of dimethyl dodecanedioate 1 (200 g, 774.65 mmol) in a mixed solvent of diethyl ether and acetonitrile, potassium hydroxide (891.4 mmol) dissolved in methanol was slowly added, keeping the reaction temperature between 0-5°C for 1 hour. Subsequently, the reaction mixture was continued to be stirred at the same temperature for 48 hours. Upon completion of the reaction, the white solid in the reaction mixture was filtered using a sintered funnel and washed with diethyl ether (100 mL) followed by suction drying for 3 hours. The resulting white solid was dissolved in water (500 mL), acidified to pH 3-4 with 1N hydrochloric acid solution, filtered to collect the precipitated white solid and washed with water (50 mL x 2). Finally, the product was air-dried in air for 1 day and then dried in the presence of phosphorus pentoxide to give monomethyl dodecanedioate 2 (166 g, 88% yield) as a white powder. | [References]
[1] Patent: WO2014/25805, 2014, A1. Location in patent: Page/Page column 33
[2] Bioorganic and Medicinal Chemistry Letters, 2004, vol. 14, # 16, p. 4253 - 4256
[3] Chemische Berichte, 1983, vol. 116, # 2, p. 761 - 776
[4] Helvetica Chimica Acta, 2005, vol. 88, # 9, p. 2470 - 2478
[5] Synthesis, 2010, # 7, p. 1150 - 1158 |
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