n-Butyl fumarate

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Names

[ CAS No. ]:
105-76-0

[ Name ]:
n-Butyl fumarate

[Synonym ]:
n-Butyl fumarate
maleic acid di-n-butyl ester
Di-n-butyl maleate
dibutyl 2-methylenesuccinate
Butanedioic acid,methylene-,dibutyl ester
2-methylenesuccinic acid dibutyl ester
Dibutyl (2E)-2-butenedioate
EINECS 203-328-4
Itaconic Acid Dibutyl Ester
MFCD00009447
2-Butenedioic acid, dibutyl ester, (2Z)-
Dibutyl itaconate
Dibutyl (2Z)-2-butenedioate
Di(n-butyl) itaconate
Methylen-bernsteinsaeure-dibutylester
Dibutyl (2Z)-but-2-enedioate
Maleic acid dibutyl ester
butyl maleate
Dibutyl (2E)-but-2-enedioate
2-Butenedioic acid, dibutyl ester, (2E)-
n-butyl maleate

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

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

[ Melting Point ]:
-85°C

[ 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

[ Water Solubility ]:
insoluble

[ Freezing Point ]:
<-85℃

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: ON0875000

CHEMICAL NAME :: Maleic acid, dibutyl ester

CAS REGISTRY NUMBER :: 105-76-0

BEILSTEIN REFERENCE NO. :: 1726634

LAST UPDATED :: 199806

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C12-H20-O4

MOLECULAR WEIGHT :: 228.32

WISWESSER LINE NOTATION :: 4OV1U1VO4 -C

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Open irritation test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 11/27/1963 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3700 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. (National Assoc. of Printing Ink Research Institute, Francis McDonald Sinclair Memorial Laboratory, Lehigh Univ., Bethlehem, PA 18015) Volume(issue)/page/year: 2,19,1975

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 150 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 :: 10 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. (National Assoc. of Printing Ink Research Institute, Francis McDonald Sinclair Memorial Laboratory, Lehigh Univ., Bethlehem, PA 18015) Volume(issue)/page/year: 2,19,1975 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M1029 No. of Facilities: 178 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 4094 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M1029 No. of Facilities: 37 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 402 (estimated)

Safety Information

[ Symbol ]:

GHS07, GHS08

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H317-H373

[ Precautionary Statements ]:
P280

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

[ Hazard Codes ]:
Xi:Irritant

[ Risk Phrases ]:
R43;R51/53

[ Safety Phrases ]:
S26-S36-S61-S37-S29-S24

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
1

[ RTECS ]:
ON0875000

[ Packaging Group ]:
I; II; III

[ HS Code ]:
2917190090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Butyl formate
Maleic acid
mesotartaric acid
Butanol
(E)-1-butoxy-2-diazonioethenolate
Maleic anhydride
pentanol
butyl acrylate
1-Bromobutane
Glyoxylic acid

DownStream

Butanedioic acid,2,2'-thiobis-, tetrabutyl ester (9CI)
1-Butene
Butanol
Butyl glyoxylate
Dibutyl fumarate
dimethyl benzofuranone
tetrabutyl propane-1,1,2,3-tetracarboxylate
Butanedioic acid,2-sulfo-, 1,4-dibutyl ester, sodium salt (1:1)
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%

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