Diethyl 3-oxopimelate supplier

Name
DIETHYL 3-OXOPIMELATE
EINECS 254-912-0
CAS No. 40420-22-2
Density 1.075 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₈O₅
Boiling Point 342 °C at 760 mmHg
Molecular Weight 230.261
Flash Point 132.1 °C
Transport Information
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;
PSA 69.67000
LogP 1.24210

Diethyl 3-oxopimelate Specification

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

Product Name

DIETHYL 3-OXOPIMELATE

Diethyl 3-oxopimelate Specification

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