Home >> Chemicals Listing >> hot product list by 2  

2-Butenedioic acid,2,3-bis(acetyloxy)-, 1,4-dimethyl ester, (2E)- (130-84-7)

Identification
Name:2-Butenedioic acid,2,3-bis(acetyloxy)-, 1,4-dimethyl ester, (2E)-
Synonyms:2-Butenedioicacid, 2,3-bis(acetyloxy)-, dimethyl ester, (E)- (9CI);Fumaric acid,dihydroxy-, dimethyl ester, diacetate (7CI,8CI);Dimethyl diacetoxyfumarate;Dimethyl dihydroxyfumarate diacetate;
CAS:130-84-7
Molecular Formula: C10H12O8
Molecular Weight: 260.1975
InChI: InChI=1/C10H12O8/c1-5(11)17-7(9(13)15-3)8(10(14)16-4)18-6(2)12/h1-4H3/b8-7-
Molecular Structure: (C10H12O8) 2-Butenedioicacid, 2,3-bis(acetyloxy)-, dimethyl ester, (E)- (9CI);Fumaric acid,dihydroxy-, dimethyl...
Properties
Flash Point: 140.1°C
Boiling Point: 322.8°Cat760mmHg
Density:1.296
Refractive index:1.462
Specification:

The Dimethyl diacetoxyfumarate, with its CAS registry number 130-84-7, has the IUPAC name of dimethyl (Z)-2,3-diacetyloxybut-2-enedioate. And this chemical is usually applied as the therapeutic agent. Besides, it has the chemical formula of C10H12O8 and the molecular weight of 260.20.

The characteristics of Dimethyl diacetoxyfumarate are as follows: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.26; (4)ACD/LogD (pH 7.4): 0.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 32.82; (8)ACD/KOC (pH 7.4): 32.82; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 105.2; (13)Index of Refraction: 1.462; (14)Molar Refractivity: 55.22 cm3; (15)Molar Volume: 200.7 cm3; (16)Polarizability: 21.89×10-24 cm3; (17)Surface Tension: 41.1 dyne/cm; (18)Density: 1.296 g/cm3; (19)Flash Point: 140.1 °C; (20)Enthalpy of Vaporization: 56.47 kJ/mol; (21)Boiling Point: 322.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000273 mmHg at 25°C; (23)Exact Mass: 260.053217; (24)MonoIsotopic Mass: 260.053217; (25)Topological Polar Surface Area: 105; (26)Heavy Atom Count: 18; (27)Complexity: 368.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC(=O)OC(=C(C(=O)OC)OC(=O)C)C(=O)OC
(2)Isomeric SMILES: CC(=O)O/C(=C(/C(=O)OC)\OC(=O)C)/C(=O)OC
(3)InChI: InChI=1S/C10H12O8/c1-5(11)17-7(9(13)15-3)8(10(14)16-4)18-6(2)12/h1-4H3/b8-7-
(4)InChIKey: NKGXGEHGPYWBDK-FPLPWBNLSA-N 

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 9500mg/kg (9500mg/kg)   Bollettino Chimico Farmaceutico. Vol. 101, Pg. 903, 1962.
 

Flash Point: 140.1°C
Safety Data
 

Other Product