Butyl fumarate (HCID 5271570)

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Basic information

Standard SMILES: CCCCOC(=O)/C=C/C(=O)OCCCC
InChIKey: JBSLOWBPDRZSMB-BQYQJAHWSA-N
Molecular formula: C12H20O4
Average molar mass: 228.288 g/mol
Monoisotopic mass: 228.13615912

Names & identifiers

Preferred name: Butyl fumarate
IUPAC: Dibutyl (2E)-but-2-enedioate
English name: Dibutyl fumarate
Molecular formula: C12H20O4
Molecular weight: 228.28

Names & synonyms

FUMARIC ACID DI-N-BUTYL ESTERdibutylesterDI-N-BUTYL FUMARATEFumaric acid dibutylstafexdbfstaflexDBFBisomer DBFStaflex DBFbutylfumarateButyl fumarate

Database identifiers

CAS: 105-75-9、82807-35-0
PubChem CID: 5271570
DTXSID: DTXSID7021865
ChEMBL: CHEMBL1771640、CHEMBL3247950
UNII: CQM31Z1NU9
EC Number: 203-327-9
Nikkaji: J47.522J、J520.498D

Properties

Physicochemical properties

Melting point: -18 °C · -18 °C
Boiling point: 141 °C · 141 °C (8 mmHg)
Density: 0.98 · 0.98
Pour Point: -1 · -1
vapor pressure: 0.164 Pa · 0.164Pa at 20℃
refractive index: 1.4455 · 1.4455-1.4475
Flash point: 90 °C · 90°C
storage temp.: Sealed in dry,Room Temperature
solubility: Insoluble in water
form: clear liquid
color: Colorless to Almost colorless
Specific Gravity: 0.986 · 0.986
Viscosity: 6.9 cp · 6.9cp (25C)
Water Solubility: 11.09 mg/L · 11.09mg/L at 20℃
LogP: 4.62 at · 4.62 at 35℃
CAS DataBase Reference: 105 · 105-75-9(CAS DataBase Reference)
FDA 21 CFR: 175.105 · 175.105; 175.300; 176.170;176.180
Indirect Additives used in Food Contact Substances: BUTYL FUMARATE
FDA UNII: 31 Z1NU9 · CQM31Z1NU9
NIST Chemistry Reference: 2 · 2-Butenedioic acid (e), dibutyl ester(105-75-9)
EPA Substance Registry System: 2 · 2-Butenedioic acid (2E)-, 1,4-dibutyl ester (105-75-9)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Risk Statements: 36 · 36/37/38
Safety Statements: 24 · 24/25-36/37/39-26
RTECS: 1225000 · LT1225000
TSCA: TSCA listed
HS Code: 29171900 · 29171900
REACH Registrations: Active

Safety & regulation

Safety data

tsca: TSCA listed
rtecs: LT1225000
hs_code: 29171900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25-36/37/39-26
Hazard statements: H315-H319
REACH Registrations: Active
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Applications

UsesDibutyl fumarate is used as a comonomer for the production of polystyrene.

UsesDibutyl Fumarate is a transisomer of Di-Bu maleate (DBM), which is widely used as a plasticizer for industrial application and enhances contact sensitization to fluorescein isothiocyanate in mice.

Upstream & downstream products

Upstream raw materials

Downstream products

Butyl fumarate mono n-Butyl fumarate

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

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