CAS 105-76-0|n-Butyl fumarate

Introduction:Basic information about CAS 105-76-0|n-Butyl fumarate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Namen-Butyl fumarate
CAS Number105-76-0Molecular Weight228.285
Density1.0±0.1 g/cm3Boiling Point280.0±0.0 °C at 760 mmHg
Molecular FormulaC12H20O4Melting Point-85°C
MSDSChineseUSAFlash Point136.4±18.2 °C
Symbol
GHS07, GHS08
Signal WordWarning

Names

NameDibutyl maleate
SynonymMore Synonyms

n-Butyl fumarate BiologicalActivity

DescriptionDibutyl 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 CatalogSignaling Pathways >>Others >>OthersResearch Areas >>Inflammation/Immunology
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

Density1.0±0.1 g/cm3
Boiling Point280.0±0.0 °C at 760 mmHg
Melting Point-85°C
Molecular FormulaC12H20O4
Molecular Weight228.285
Flash Point136.4±18.2 °C
Exact Mass228.136154
PSA52.60000
LogP3.81
Vapour Pressure0.0±0.5 mmHg at 25°C
Index of Refraction1.452
InChIKeyJBSLOWBPDRZSMB-FPLPWBNLSA-N
SMILESCCCCOC(=O)C=CC(=O)OCCCC
Water Solubilityinsoluble
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
Signal WordWarning
Hazard StatementsH317-H373
Precautionary StatementsP280
Personal Protective EquipmentEyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard CodesXi:Irritant
Risk PhrasesR43;R51/53
Safety PhrasesS26-S36-S61-S37-S29-S24
RIDADRNONH for all modes of transport
WGK Germany1
RTECSON0875000
Packaging GroupI; II; III
HS Code2917190090

Customs

HS Code2917190090
Summary2917190090 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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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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