Diethyl fumarate

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Names

[ CAS No. ]:
623-91-6

[ Name ]:
Diethyl fumarate

[Synonym ]:
2-Butenedioic acid(2E)-, 1,4-diethyl ester
2-Butenedioic acid, diethyl ester, (2E)-
Diethyl-(2E)-but-2-endioat
EINECS 210-819-7
Diethyl (2E)-but-2-enedioate
Diethyl (2E)-2-butenedioate
Fumaric acid, diethyl ester (8CI)
Diethyl fumarate
MFCD00064455
Diethyl maleate

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
214.0±0.0 °C at 760 mmHg

[ Melting Point ]:
41641ºC

[ Molecular Formula ]:
C8H12O4

[ Molecular Weight ]:
172.178

[ Flash Point ]:
93.3±0.0 °C

[ Exact Mass ]:
172.073563

[ PSA ]:
52.60000

[ LogP ]:
1.68

[ Vapour Pressure ]:
0.2±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.443

[ Stability ]:
Stable. Combustible. Incompatible with strong oxidizing agents, acids, bases, reducing agents.

[ Water Solubility ]:
immiscible

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EM5950000
CHEMICAL NAME :
2-Butenedioic acid, diethyl ester, (E)-
CAS REGISTRY NUMBER :
623-91-6
BEILSTEIN REFERENCE NO. :
0775347
LAST UPDATED :
199710
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C8-H12-O4
MOLECULAR WEIGHT :
172.20
WISWESSER LINE NOTATION :
2OV1U1VO2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1780 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 81805 No. of Facilities: 367 (estimated) No. of Industries: 3 No. of Occupations: 11 No. of Employees: 1350 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R22

[ Safety Phrases ]:
S23

[ RIDADR ]:
NA 1993 / PGIII

[ WGK Germany ]:
3

[ RTECS ]:
EM5950000

[ HS Code ]:
29171990

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • EDA
  • Ethanol
  • fumaric acid
  • diethyl meso-1,2-dibromosuccinate
  • Ethyl acrylate TOP1 supplier
  • diethyl 2,3-dibromobutanedioate
  • diethyl 2,3-dibromobutane-1,4-dicarboxylate
  • Ethyl 2-hydroxyacetate
  • Ethyl 2-(triphenylphosphoranylidene)acetate
  • phenylene-ethylene

DownStream

  • 2-Butenedioic acid,2-chloro-, diethyl ester, (2Z)- (9CI)
  • CIS-DIETHYL CYCLOPROPANE-1,2-DICARBOXYLATE
  • (E)-1,2-Cyclopropanedicarboxylic acid diethyl ester
  • trans,trans-Muconic Acid
  • diethyl 2-(1-nitroethyl)butanedioate
  • Acetic acid,2-oxo-2-[(phenylmethyl)amino]-
  • Benzylamine
  • diethyl 2-bromo-3-tert-butylbutanedioate
  • 1,2,4-Butanetricarboxylic acid
  • Succinic acid

Customs

[ HS Code ]: 2917190090

[ Summary ]:
2917190090 acyclic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles

Fumarate analogs act as allosteric inhibitors of the human mitochondrial NAD(P)+-dependent malic enzyme.

PLoS ONE 9(6) , e98385, (2014)

Human mitochondrial NAD(P)+-dependent malic enzyme (m-NAD(P)-ME) is allosterically activated by the four-carbon trans dicarboxylic acid, fumarate. Previous studies have suggested that the dicarboxylic...

Kinetics of poly(propylene fumarate) synthesis by step polymerization of diethyl fumarate and propylene glycol using zinc chloride as a catalyst.

J. Biomater. Sci. Polym. Ed. 13(1) , 95-108, (2002)

Diethyl fumarate and propylene glycol were reacted in the presence of a zinc chloride catalyst to synthesize poly(propylene fumarate) (PPF) over a period of 12 hours. The kinetics of the transesterifi...

Facile preparation of the tosylhydrazone derivatives of a series of racemic trans-3,4-substituted cyclopentanones.

Molecules 17(1) , 1-14, (2011)

We report the synthesis and characterization of a variety of trans-3,4-substituted cyclopentanones and the corresponding tosylhydrazone derivatives starting with diethyl fumarate. Protection of the ke...


More Articles

Related Compounds

  • diethyl fumarate
  • TRANS-DIETHYL FUMARATE
  • bis(cyclopentadienyl)(diethyl fumarate)vanadium(II)
  • diethyl 2-(bromomethyl)fumarate
  • diethyl 2,3-dibromo-fumarate
  • Diethyl-(1-acetoxy-2-naphthyl)fumarate
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 4-Cyclohexyl-2-methylbutan-2-amine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide