Dibutyl fumarate

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Names

[ CAS No. ]:
105-75-9

[ Name ]:
Dibutyl fumarate

[Synonym ]:
Dibutyl FuMarate
MFCD00065141
n-Butyl fumarate
Fumaric Acid Dibutyl Ester
2-Butenedioic acid(2E)-, 1,4-dibutyl ester
Dibutyl (2E)-but-2-enedioate
EINECS 203-327-9
2-Butenedioic acid, dibutyl ester, (2E)-
Dibutyl (2E)-2-butenedioate

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
280.0±0.0 °C at 760 mmHg

[ Melting Point ]:
-18ºC

[ Molecular Formula ]:
C12H20O4

[ Molecular Weight ]:
228.285

[ Flash Point ]:
136.4±18.2 °C

[ Exact Mass ]:
228.136154

[ PSA ]:
52.60000

[ LogP ]:
3.81

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.452

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
LT1225000
CHEMICAL NAME :
Fumaric acid, dibutyl ester
CAS REGISTRY NUMBER :
105-75-9
BEILSTEIN REFERENCE NO. :
1726635
LAST UPDATED :
199806
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C12-H20-O4
MOLECULAR WEIGHT :
228.32
WISWESSER LINE NOTATION :
4OV1U1VO4 -T

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 :
8530 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 4,119,1951
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD691-490
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
15900 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 4,119,1951 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - A1345 No. of Facilities: 47 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 471 (estimated)

Safety Information

[ Hazard Codes ]:
Xi

[ Safety Phrases ]:
S24/25

[ RTECS ]:
LT1225000

[ HS Code ]:
2917190090

Synthetic Route

Precursor & DownStream

Precursor

  • Maleic anhydride
  • Butanol
  • butyl acrylate
  • Tartaric acid
  • Butyl formate
  • fumaric acid
  • (E)-1-butoxy-2-diazonioethenolate
  • Allene
  • Diethyl fumarate

DownStream

  • Dibutyl itaconate
  • butoxy-succinic acid dibutyl ester

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%


Related Compounds

  • dibutyl fumarate
  • Vinyl acetate-dibutyl fumarate copolymer
  • Dibutyl fumarate,methacrylic acid,vinyl acetate polymer
  • dibutyl diethylphosphoramidite
  • dibutyl(hex-1-en-2-yl)borane
  • dibutyl (1-chloroethylideneamino) phosphate
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 2H-Pyran-2-one, 4-(3,5-dimethyl-4-isoxazolyl)tetrahydro-
  • 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
  • 2-Methyl-2-(1-methylcyclopropyl)cyclopropan-1-amine
  • 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