Basic Information | Post buying leads | Suppliers |
Name |
Diethyl 3-oxopimelate |
EINECS | 254-912-0 |
CAS No. | 40420-22-2 | Density | 1.075 g/cm3 |
PSA | 69.67000 | LogP | 1.24210 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H18O5 | Boiling Point | 342 °C at 760 mmHg |
Molecular Weight | 230.261 | Flash Point | 132.1 °C |
Transport Information | N/A | Appearance | clear light yellow to yellow-brownish liquid |
Safety | Risk Codes | 20/21/22 | |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
Heptanedioicacid, 3-oxo-, diethyl ester (6CI,7CI,9CI);3-Oxoheptanedioic acid diethylester;Diethyl 3-oxoheptanedioate;Diethyl 3-oxopimelate; |
The Heptanedioic acid,3-oxo-, 1,7-diethyl ester is an organic compound with the formula C11H18O5. The IUPAC name of this chemical is diethyl 3-oxoheptanedioate. With the CAS registry number 40420-22-2, it is also named as diethyl 3-oxoheptane-1,7-dioate. Besides, it is clear light yellow to yellow-brownish liquid, which should be stored in a closed cool and dry place.
Physical properties about Heptanedioic acid,3-oxo-, 1,7-diethyl ester are: (1)ACD/LogP: 1.73; (2)ACD/LogD (pH 5.5): 1.73; (3)ACD/LogD (pH 7.4): 1.73; (4)ACD/BCF (pH 5.5): 12.21; (5)ACD/BCF (pH 7.4): 12.21; (6)ACD/KOC (pH 5.5): 208.73; (7)ACD/KOC (pH 7.4): 208.59; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 10; (10)Polar Surface Area: 69.67 Å2; (11)Index of Refraction: 1.441; (12)Molar Refractivity: 56.58 cm3; (13)Molar Volume: 214.1 cm3; (14)Polarizability: 22.43×10-24cm3; (15)Surface Tension: 35.9 dyne/cm; (16)Density: 1.075 g/cm3; (17)Flash Point: 132.1 °C; (18)Enthalpy of Vaporization: 58.57 kJ/mol; (19)Boiling Point: 342 °C at 760 mmHg; (20)Vapour Pressure: 7.77E-05 mmHg at 25°C.
Uses of Heptanedioic acid,3-oxo-, 1,7-diethyl ester: it can be used to produce 2-dimethylaminomethylene-3-oxo-heptanedioic acid diethyl ester by heating. The reaction time is 2 hours. The yield is about 91%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)CC(=O)CCCC(=O)OCC
(2)InChI: InChI=1/C11H18O5/c1-3-15-10(13)7-5-6-9(12)8-11(14)16-4-2/h3-8H2,1-2H3
(3)InChIKey: RTMQRCLOAACETL-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C11H18O5/c1-3-15-10(13)7-5-6-9(12)8-11(14)16-4-2/h3-8H2,1-2H3
(5)Std. InChIKey: RTMQRCLOAACETL-UHFFFAOYSA-N