Dimethyl glutaconate supplier

Name
Dimethyl glutaconate
EINECS
CAS No. 5164-76-1
Article Data8
CAS DataBase
Density 1.093 g/cm³
Solubility
Melting Point
Formula C₇H₁₀O₄
Boiling Point 192.8°Cat760mmHg
Molecular Weight 158.154
Flash Point 87.6°C
Transport Information
Appearance
Safety S26
Risk Codes R36
Molecular Structure
Hazard Symbols
Synonyms 2-Pentenedioicacid, dimethyl ester (9CI);Glutaconic acid, dimethyl ester (7CI,8CI);Dimethyl2-pentene-1,5-dioate;Dimethyl 2-pentenedioate;Dimethyl glutaconate;NSC 30046;
PSA 52.60000
LogP 0.27870

Dimethyl glutaconate 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

Product Name

Dimethyl glutaconate

Dimethyl glutaconate Specification

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