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Cas Database |
| Name |
Heptanedioic acid monoethyl ester |
EINECS | 251-346-6 |
| CAS No. | 33018-91-6 | Density | 1.074 g/cm3 |
| PSA | 63.60000 | LogP | 1.58460 |
| Solubility | Not miscible or difficult to mix with water. | Melting Point |
10 °C |
| Formula | C9H16O4 | Boiling Point | 288.705 °C at 760 mmHg |
| Molecular Weight | 188.224 | Flash Point | 108.025 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36 | Risk Codes | 36/38 |
| Molecular Structure |
|
Hazard Symbols | R36/38:Irritating to eyes and skin.; |
| Synonyms |
Heptanedioicacid, monoethyl ester (9CI);Pimelic acid, ethyl ester (6CI);Pimelic acid,monoethyl ester (8CI);Ethyl hydrogen pimelate;Monoethyl heptanedioate;Monoethyl pimelate; |
Article Data | 10 |
Heptanedioic acid monoethyl ester Chemical Properties
Molecular Formula of Ethyl hydrogen heptane-1,7-dioate (CAS NO.33018-91-6): C9H16O4
Molar mass: 188.2209 g/mol
Nominal Mass: 188 Da
Average Mass: 188.2209 Da
Monoisotopic Mass: 188.104859 Da
EINECS: 251-346-6
Density: 1.074 g/cm3
Flash Point: 108 °C
Index of Refraction: 1.449
Boiling Point: 288.7 °C at 760 mmHg
Vapour Pressure: 0.000581 mmHg at 25°C
Structure of Ethyl hydrogen heptane-1,7-dioate (CAS NO.33018-91-6):
.png)
XLogP3-AA: 1.2
H-Bond Donor: 1
H-Bond Acceptor: 4
IUPAC Name of Ethyl hydrogen heptane-1,7-dioate (CAS NO.33018-91-6): 7-Ethoxy-7-oxoheptanoic acid
Canonical SMILES: CCOC(=O)CCCCCC(=O)O
InChI: InChI=1S/C9H16O4/c1-2-13-9(12)7-5-3-4-6-8(10)11/h2-7H2,1H3,(H,10,11)
InChIKey: NQYXFXWKKYGBNL-UHFFFAOYSA-N
Heptanedioic acid monoethyl ester Specification
Ethyl hydrogen heptane-1,7-dioate ,its cas register number is 33018-91-6.It also can be called Boc-methr(bzl)-OH ; Monoethyl pimelate ; Ethyl hydrogen pimelate and Heptanedioic acid monoethyl ester .
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