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| CAS No.: | 5164-76-1 |
|---|---|
| Name: | Dimethyl glutaconate |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C7H10O4 |
| Molecular Weight: | 158.154 |
| Synonyms: | 2-Pentenedioicacid, dimethyl ester (9CI);Glutaconic acid, dimethyl ester (7CI,8CI);Dimethyl2-pentene-1,5-dioate;Dimethyl 2-pentenedioate;Dimethyl glutaconate;NSC 30046; |
| Density: | 1.093 g/cm3 |
| Boiling Point: | 192.8°Cat760mmHg |
| Flash Point: | 87.6°C |
| Hazard Symbols: |
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| Risk Codes: | R36 |
| Safety: | S26 |
| PSA: | 52.60000 |
| LogP: | 0.27870 |
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Specification
The Dimethyl glutaconate with the cas number 5164-76-1 is also called 2-Pentenedioic acid,1,5-dimethyl ester. The IUPAC name is dimethyl (Z)-pent-2-enedioate. Its molecular formula is C7H10O4. This chemical is irritating to eyes. While using this chemical, you should be very cautious. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
The properties of the chemical are: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 52.6 Å2; (7)Index of Refraction: 1.439; (8)Molar Refractivity: 38.08 cm3; (9)Molar Volume: 144.6 cm3; (10)Polarizability: 15.09×10-24cm3; (11)Surface Tension: 33.2 dyne/cm; (12)Enthalpy of Vaporization: 42.9 kJ/mol; (13)Vapour Pressure: 0.481 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)\C=C\CC(=O)OC
(2)InChI: InChI=1/C7H10O4/c1-10-6(8)4-3-5-7(9)11-2/h3-4H,5H2,1-2H3/b4-3+
(3)InChIKey: SKCGFFOFYXLNCG-ONEGZZNKBA