n-Butyl fumarate

Modify Date: 2024-01-02 13:40:29

n-Butyl fumarate Structure
n-Butyl fumarate structure
Common Name n-Butyl fumarate
CAS Number 105-76-0 Molecular Weight 228.285
Density 1.0±0.1 g/cm3 Boiling Point 280.0±0.0 °C at 760 mmHg
Molecular Formula C12H20O4 Melting Point -85°C
MSDS Chinese USA Flash Point 136.4±18.2 °C
Symbol GHS07 GHS08
GHS07, GHS08
Signal Word Warning

 Use of n-Butyl fumarate


Dibutyl maleate, the diester of the Maleic Acid, can be used as an intermediate of pharmaceutical synthesis. Dibutyl maleate can enhance contact sensitization to Fluorescein isothiocyanate in mice[1].

 Names

Name Dibutyl maleate
Synonym More Synonyms

 n-Butyl fumarate Biological Activity

Description Dibutyl maleate, the diester of the Maleic Acid, can be used as an intermediate of pharmaceutical synthesis. Dibutyl maleate can enhance contact sensitization to Fluorescein isothiocyanate in mice[1].
Related Catalog
References

[1]. Matsuoka T, et, al. Dibutyl Maleate and Dibutyl Fumarate Enhance Contact Sensitization to Fluorescein Isothiocyanate in Mice. Biol Pharm Bull. 2016;39(2):272-7.

 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℃

 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
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

 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%

 Articles7

More Articles
Designing greener plasticizers: Effects of alkyl chain length and branching on the biodegradation of maleate based plasticizers.

Chemosphere 134 , 106-12, (2015)

The ubiquitous presence of the plasticizer di (2-ethylhexyl) phthalate (DEHP) in the environment is of concern due to negative biological effects associated with it and its metabolites. In particular,...

Composition-explicit distillation curves of diesel fuel with glycol ether and glycol ester oxygenates: fuel analysis metrology to enable decreased particulate emissions.

Environ. Sci. Technol. 42(20) , 7682-9, (2008)

We recently introduced several important improvements in the measurement of distillation curves of complex fluids. The modifications to the classical measurement provide for (1) a composition-explicit...

Biodegradation of potential diesel oxygenate additives: dibutyl maleate (DBM), and tripropylene glycol methyl ether (TGME).

Chemosphere 52(5) , 861-8, (2003)

The addition of oxygen-bearing compounds to diesel fuel considerably reduces particulate emissions. TGME and DBM have been identified as possible diesel additives based on their physicochemical charac...

 Synonyms

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
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