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| CAS No.: | 1501-06-0 |
|---|---|
| Name: | DIETHYL 2-ACETYLGLUTARATE |
| Article Data: | 33 |
| Molecular Structure: | |
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| Formula: | C11H18O5 |
| Molecular Weight: | 230.261 |
| Synonyms: | Glutaricacid, 2-acetyl-, diethyl ester (7CI,8CI);Pentanedioic acid, 2-acetyl-, diethylester (9CI);Diethyl 2-acetylglutarate;Diethyl 2-acetylpentanedioate;Diethyl a-acetylglutarate;NSC 42535; |
| EINECS: | 216-114-0 |
| Density: | 1.073 g/cm3 |
| Boiling Point: | 291.2 °C at 760 mmHg |
| Flash Point: | 127.5 °C |
| Solubility: | 1.071 g/mL at 25 °C(lit.) in water |
| Appearance: | Clear colourless to light yellow liquid |
| Safety: | 24/25 |
| PSA: | 69.67000 |
| LogP: | 1.09800 |
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Specification
The Pentanedioic acid,2-acetyl-, 1,5-diethyl ester is an organic compound with the formula C11H18O5. The IUPAC name of this chemical is Diethyl 2-acetylpentanedioate. With the CAS registry number 1501-06-0, it is also named as 2-Acetylglutaric acid diethyl ester. The product's categories are C10 to C11; Carbonyl Compounds; Esters. Besides, it is clear colourless to light yellow liquid, which should be stored in a cool, sealed, dry, well-ventilated, lightproof place.
Physical properties about Pentanedioic acid,2-acetyl-, 1,5-diethyl ester are: (1)ACD/LogP: 2.04; (2)ACD/LogD (pH 5.5): 2.04; (3)ACD/LogD (pH 7.4): 2.04; (4)ACD/BCF (pH 5.5): 20.87; (5)ACD/BCF (pH 7.4): 20.86; (6)ACD/KOC (pH 5.5): 306.25; (7)ACD/KOC (pH 7.4): 306.22; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 9; (10)Polar Surface Area: 69.67 Å2; (11)Index of Refraction: 1.439; (12)Molar Refractivity: 56.54 cm3; (13)Molar Volume: 214.5 cm3; (14)Polarizability: 22.41×10-24 cm3; (15)Surface Tension: 34.9 dyne/cm; (16)Density: 1.073 g/cm3; (17)Flash Point: 127.5 °C; (18)Enthalpy of Vaporization: 53.06 kJ/mol; (19)Boiling Point: 291.2 °C at 760 mmHg; (20)Vapour Pressure: 0.00198 mmHg at 25 °C.
Preparation: this chemical can be prepared by Acetoacetic acid ethyl ester. This reaction will need reagent KOH, catalyst benzyltriethylammonium chloride (BTEAC) and solvent dimethylformamide. The reaction temperature is 30 - 45 °C. The yield is about 80%.
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Uses of Pentanedioic acid,2-acetyl-, 1,5-diethyl ester: it can be used to produce Pentanedioic acid diethyl ester at temperature of 140 °C. It will need reagent 1,2-diaminobenzene with reaction time of 4 hours. The yield is about 62%.
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When you are using this chemical, please be cautious about it as the following:
When you are using it, avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C11H18O5/c1-4-15-10(13)7-6-9(8(3)12)11(14)16-5-2/h9H,4-7H2,1-3H3
(2)InChIKey: NNOGMCQLKMLNPL-UHFFFAOYAK
(3)Std. InChI: InChI=1S/C11H18O5/c1-4-15-10(13)7-6-9(8(3)12)11(14)16-5-2/h9H,4-7H2,1-3H3
(4)Std. InChIKey: NNOGMCQLKMLNPL-UHFFFAOYSA-N