(2E)-2-Ethylidenebutanedioic acid supplier

Name
ITACONIC ACID
EINECS 202-599-6
CAS No. 144368-21-8
Article Data16
CAS DataBase
Density 1.307 g/cm³
Solubility
Melting Point 165-168ºC(lit.)
Formula C₆H₈O₄
Boiling Point 379.3 °C at 760 mmHg
Molecular Weight 144.127
Flash Point 197.3 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms (E)-Ethylidenesuccinicacid;
PSA 74.60000
LogP 0.10190

(2E)-2-Ethylidenebutanedioic acid Specification

This chemical is called (2E)-2-Ethylidenebutanedioic acid, and it can also be named as butanedioic acid, 2-ethylidene-, (2E)-. With the molecular formula of C₆H₈O₄, its molecular weight is 144.12. The CAS registry number of this chemical is 144368-21-8.

Other characteristics of the (2E)-2-Ethylidenebutanedioic acid can be summarised as followings: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.52; (4)ACD/LogD (pH 7.4): -3.81; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 32.87 cm³; (15)Molar Volume: 110.2 cm³; (16)Polarizability: 13.03×10^-24cm³; (17)Surface Tension: 53.2 dyne/cm; (18)Density: 1.307 g/cm³; (19)Flash Point: 197.3 °C; (20)Enthalpy of Vaporization: 68.87 kJ/mol; (21)Boiling Point: 379.3 °C at 760 mmHg; (22)Vapour Pressure: 8.43E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)/C(=C/C)CC(=O)O
2.InChI: InChI=1/C6H8O4/c1-2-4(6(9)10)3-5(7)8/h2H,3H2,1H3,(H,7,8)(H,9,10)/b4-2+
3.InChIKey: NRSMWHGLCNBZSO-DUXPYHPUBU

Product Name

ITACONIC ACID

(2E)-2-Ethylidenebutanedioic acid Specification

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