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Diisobutyl Fumarate - >98.0%(GC), high purity , CAS No.7283-69-4

COA

Grade & Purity:

≥98%(GC)

Cas Number: 7283-69-4
Molecular Weight: 228.29
Beilstein Registry Number: 2(4)2211
MDL number: MFCD00152430
PubChem CID: 5373437
PubChem SID: 488195499

In stock

Item Number

D154136

Grouped product items
SKU	Size	Availability	Price
D154136-25g	25g	7	$26.90
D154136-100g	100g	5	$33.90
D154136-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$60.90

View related series

Carboxylate (915) Non heterocyclic block (8163)

Basic Description

Synonyms	EINECS 230-706-6 \| NSC 58655 \| fumaric acid bis-(2-methylpropyl) ester \| Fumaric Acid Diisobutyl Ester \| FUMARIC ACID, DIISOBUTYL ESTER \| SCHEMBL317108 \| 2-Butenedioic acid (E)-, bis(2-methylpropyl) ester \| RSRICHZMFPHXLE-AATRIKPKSA-N \| NSC58655 \| 2-Buten
Specifications & Purity	≥98%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acid esters

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Fatty acid esters
Alternative Parents	Dicarboxylic acids and derivatives Enoate esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Fatty acid ester - Dicarboxylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488195499
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488195499
IUPAC Name	bis(2-methylpropyl) (E)-but-2-enedioate
INCHI	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
Smiles	CC(C)COC(=O)C=CC(=O)OCC(C)C
Isomeric SMILES	CC(C)COC(=O)/C=C/C(=O)OCC(C)C
RTECS	LT1565000
Molecular Weight	228.29
Beilstein	2(4)2211
Reaxy-Rn	22224281
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22224281&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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9 results found

Lot Number	Certificate Type	Date	Item
E2025132	Certificate of Analysis	Mar 18, 2024	D154136
D23061181	Certificate of Analysis	Apr 15, 2023	D154136
F2213399	Certificate of Analysis	Mar 17, 2022	D154136
F2214126	Certificate of Analysis	Mar 17, 2022	D154136
F2213405	Certificate of Analysis	Mar 17, 2022	D154136
E2227306	Certificate of Analysis	Mar 17, 2022	D154136
E2227335	Certificate of Analysis	Mar 17, 2022	D154136
E2227322	Certificate of Analysis	Mar 17, 2022	D154136
E2227337	Certificate of Analysis	Mar 15, 2022	D154136

Chemical and Physical Properties

Refractive Index	1.44
Boil Point(°C)	122°C/5mmHg(lit.)
Melt Point(°C)	8 °C
Molecular Weight	228.280 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	228.136 Da
Monoisotopic Mass	228.136 Da
Topological Polar Surface Area	52.600 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	228.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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