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6317-49-3

Basic Information
CAS No.: 6317-49-3
Name: Heptanedioic acid,4-oxo-, 1,7-diethyl ester
Article Data: 32
Cas Database
Molecular Structure:
Molecular Structure of 6317-49-3 (Heptanedioic acid,4-oxo-, 1,7-diethyl ester)
Formula: C11H18O5
Molecular Weight: 230.261
Synonyms: Heptanedioicacid, 4-oxo-, diethyl ester (6CI,7CI,9CI);4-Oxopimelic acid diethyl ester;Diethyl 4-ketopimelate;Diethyl 4-oxoheptanedioate;Diethyl 4-oxopimelate;Diethyl g-ketopimelate;Diethyl g-oxopimelate;NSC 39476;g-Oxopimelic acid diethyl ester;
EINECS: 228-657-0
Density: 1.075 g/cm3
Melting Point: 58 °C(Solv: benzene (71-43-2); ligroine (8032-32-4))
Boiling Point: 318.5 °C at 760 mmHg
Flash Point: 137.4 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety: 23-24/25
Transport Information: N/A
PSA: 69.67000
LogP: 1.24210
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  • DIETHYL 4-OXOPIMELATE  6317-49-3  C11H18O5

  • Casno:

    6317-49-3

    DIETHYL 4-OXOPIMELATE 6317-49-3 C11H18O5

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  • Diethyl 4-oxoheptanedioate cas 6317-49-3

  • Casno:

    6317-49-3

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    Diethyl 4-oxoheptanedioate

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  • Diethyl-4-oxopimelate

  • Casno:

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  • Diethyl 4-oxoheptanedioate

  • Casno:

    6317-49-3

    Diethyl 4-oxoheptanedioate

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Specification

The Heptanedioic acid,4-oxo-, 1,7-diethyl ester, with the CAS registry number 6317-49-3, is also known as Diethyl 4-oxopimelate. Its EINECS registry number is 228-657-0. This chemical's molecular formula is C11H18O5 and molecular weight is 230.115424. Its IUPAC name is called diethyl 4-oxoheptanedioate.

Physical properties of Heptanedioic acid,4-oxo-, 1,7-diethyl ester: (1)ACD/LogP: 0.96; (2)ACD/LogD (pH 5.5): 0.96; (3)ACD/LogD (pH 7.4): 0.96; (4)ACD/BCF (pH 5.5): 3.15; (5)ACD/BCF (pH 7.4): 3.15; (6)ACD/KOC (pH 5.5): 79.1; (7)ACD/KOC (pH 7.4): 79.1; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 10; (10)Index of Refraction: 1.441; (11)Molar Refractivity: 56.58 cm3; (12)Molar Volume: 214.1 cm3; (13)Surface Tension: 35.9 dyne/cm; (14)Density: 1.075 g/cm3; (15)Flash Point: 137.4 °C; (16)Enthalpy of Vaporization: 56 kJ/mol; (17)Boiling Point: 318.5 °C at 760 mmHg; (18)Vapour Pressure: 0.000359 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-furan-2-yl-acrylic acid and ethanol. This reaction will need reagent HCl.

Uses of Heptanedioic acid,4-oxo-, 1,7-diethyl ester: it can be used to produce 2,2-bis-(2-ethoxycarbonyl-ethyl)-[1,3]dioxolane. This reaction will need reagent benzene, toluene-4-sulfonic acid.

When you are using this chemical, please be cautious about it as the following:
You should not breathe its gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). You must avoid contacting it with skin and eyes.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)CCC(=O)CCC(=O)OCC
(2)InChI: InChI=1S/C11H18O5/c1-3-15-10(13)7-5-9(12)6-8-11(14)16-4-2/h3-8H2,1-2H3
(3)InChIKey: ZGBUXZJMZBBISR-UHFFFAOYSA-N