Basic information
- CAS
7283-69-4- Standard SMILES
CC(C)COC(=O)/C=C/C(=O)OCC(C)C- InChIKey
RSRICHZMFPHXLE-AATRIKPKSA-N- Molecular formula
- C12H20O4
- Average molar mass
- 228.28 g/mol
- Monoisotopic mass
- 228.13615912
Names & identifiers
- Preferred name
- Diisobutyl fumarate
- IUPAC
- bis(2-methylpropyl) (E)-but-2-enedioate
- English name
- Diisobutyl fumarate
- Molecular formula
- C12H20O4
- Molecular weight
- 228.28
Names & synonyms
Diisobutyl fumarate7283-69-4FUMARIC ACID, DIISOBUTYL ESTER2-Butenedioic acid (E)-, bis(2-methylpropyl) esterDiisobutylester kyseliny fumaroveEINECS 230-706-6NSC 586550M3MJB158JDiisobutylester kyseliny fumarove [Czech]AI3-32716NSC-58655UNII-0M3MJB158J
Show more names
DiisobutylfomarateDiisobutylFumarate>fumaricacid,diisobutylesterDiisobutyl Fumarate, ≥ 98.0%diisobutylesterkyselinyfumarovefumaricacidbis-(2-methylpropyl)ester
Diisobutyl (2E)-2-butenedioate2-Butenedioic acid, bis(2-methylpropyl) ester, (E)-2-Butenedioic acid (E), di-2-methylpropyl ester2-BUTENEDIOIC ACID (2E)-, BIS(2-METHYLPROPYL) ESTERRefChem:1340312-Butenedioic acid (E)-, bis(2-methylpropyl) ester (9CI)230-706-6RSRICHZMFPHXLE-AATRIKPKSA-N
Database identifiers
- CAS
7283-69-4- PubChem CID
- 5373437
- DTXSID
DTXSID701032483- UNII
- 0M3MJB158J
- EC Number
- 230-706-6
- Nikkaji
- J49.568I、J520.500J
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 228
Experimental & physicochemical properties
Chemical ClassesIndustrial compound
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- 8 °C · 8 °C(lit.)
- Boiling point
- 249 °C · 249 °C(lit.)
- Density
- 0.978 g/mL · 0.978 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.443(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-30°C
- form
- clear liquid
- color
- Colorless to Almost colorless
- Specific Gravity
- 0.974 · 0.974~0.980 (20/4℃)
- InChI
- 1S/C12H20O4/c1-9(2)7-15-11(13)5-6-12(14)16-8-10(3)4/h5-6,9-10H,7-8H2,1-4H3/b6-5+
- InChIKey
- RSRICHZMFPHXLE-AATRIKPKSA-N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- rtecs
- LT1565000
- hs_code
- 2917.19.1700
- risk_code
- 38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24-26-36
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315
- Hazard Classifications
- Skin Irrit. 2
- Precautionary statements
- P280
Chemistry & industry
Applications
UsesDiisobutyl Fumarate is used in preparation of functional mixed plasticizer by variable pressure esterification.
Suppliers62 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
武汉卡诺斯科技有限公司027-83238443 15327105076 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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