CAS 105-76-0|n-Butyl fumarate
| 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 | ChineseUSA | Flash Point | 136.4±18.2 °C |
| Symbol | GHS07, GHS08 | Signal Word | Warning |
Names
| Name | Dibutyl maleate |
|---|---|
| Synonym | More Synonyms |
n-Butyl fumarate BiologicalActivity
| 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 | Signaling 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
| 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 |
| InChIKey | JBSLOWBPDRZSMB-FPLPWBNLSA-N |
| SMILES | CCCCOC(=O)C=CC(=O)OCCCC |
| Water Solubility | insoluble |
| Freezing Point | <-85℃ |
Toxicological Information
CHEMICAL IDENTIFICATION |
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 |
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 |
