Dimethyl fumarate

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Names

[ CAS No. ]:
624-49-7

[ Name ]:
Dimethyl fumarate

[Synonym ]:
Dimethyl fumarate
EINECS 210-849-0
MFCD00064438

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
193.0±0.0 °C at 760 mmHg

[ Melting Point ]:
102-106 °C(lit.)

[ Molecular Formula ]:
C6H8O4

[ Molecular Weight ]:
144.125

[ Flash Point ]:
91.1±0.0 °C

[ Exact Mass ]:
144.042252

[ PSA ]:
52.60000

[ LogP ]:
0.62

[ Vapour Pressure ]:
0.5±0.3 mmHg at 25°C

[ Index of Refraction ]:
1.435

[ Storage condition ]:
Store at RT.

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

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EM6125000
CHEMICAL NAME :
2-Butenedioic acid, dimethyl ester, (E)-
CAS REGISTRY NUMBER :
624-49-7
BEILSTEIN REFERENCE NO. :
0774590
LAST UPDATED :
199710
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C6-H8-O4
MOLECULAR WEIGHT :
144.14
WISWESSER LINE NOTATION :
1OV1U1VO1 -T

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,373,1986
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,373,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2240 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: 30,470,1969
TYPE OF TEST :
LC - Lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>3100 mg/m3/10M
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NDRC** National Defense Research Committee, Office of Scientific Research and Development, Progress Report. Volume(issue)/page/year: NDCrc-132,Dec,1942
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1250 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: 30,470,1969

Safety Information

[ Symbol ]:

GHS07, GHS09

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H312-H315-H317-H319-H411

[ Precautionary Statements ]:
P280-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R21;R36/37/38

[ Safety Phrases ]:
S26-S36/37/39

[ RIDADR ]:
UN 3077 9 / PGIII

[ WGK Germany ]:
1

[ RTECS ]:
EM6125000

[ HS Code ]:
2917140000

Synthetic Route

Precursor & DownStream

Precursor

  • Methyl tert-butyl ether
  • fumaric acid
  • Dimethyl but-2-ynedioate
  • 4-(pyrrolidin-1-yl)pent-3-en-2-one
  • METHYL DIAZOACETATE
  • dimethyl maleate
  • Methanol
  • carbon monoxide
  • Acetylene
  • (E)-3-morpholin-4-yl-1,3-diphenylpropenone

DownStream

  • 1,2-Cyclohexanedicarboxylicacid, 1,2-dimethyl ester, (1R,2R)-rel-
  • N-Nitrosodiethylamine
  • (α-nitro-isopropyl)-succinic acid dimethyl ester
  • bis(5-methyl-2-propan-2-ylcyclohexyl) but-2-enedioate
  • (-)-menthyl methyl fumarate
  • Butyroin
  • 2-butyrylsuccinic acid dimethyl ester
  • Cyclobutanol
  • Dimethyl malate
  • DIMETHYL 4-OXOTETRAHYDROTHIOPHENE-2,3-DICARBOXYLATE

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%

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Related Compounds

  • Dimethyl fumarate d6
  • dimethyl fumarate-d2
  • dimethyl fumarate-d2
  • tetracarbonyl(η2-dimethyl fumarate)iron
  • 1,3-diphenylbenz(f)inden-2-one-dimethyl fumarate adduct
  • Cyclopentadienyl(dimethyl fumarate)(triethyl phosphite)cobalt(I)