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Diisobutyl Adipate - >99.0%(GC), high purity , CAS No.141-04-8

COA

Grade & Purity:

≥99%(GC)

Cas Number: 141-04-8
Molecular Weight: 258.36
Beilstein Registry Number: 2(4)1962
MDL number: MFCD00053722
PubChem CID: 8831
PubChem SID: 488180889

In stock

Item Number

D155177

Grouped product items
SKU	Size	Availability	Price
D155177-25ml	25ml	4	$19.90
D155177-100ml	100ml	10	$32.90
D155177-500ml	500ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$59.90

View related series

Plasticizer (36) Polymer / polymer reagent (675)

Basic Description

Synonyms	Adipic acid, diisobutyl ester \| Hexanedioic acid, bis(2-methylpropyl) ester \| Hexanedioic acid, 1,6-bis(2-methylpropyl) ester \| NSC 6343 \| AI3-00995 \| Isobutyl adipate \| Diisobutyl hexanedioate \| DTXSID9036690 \| FEMA NO. 4475 \| FT-0621918 \| Q27116236 \| AE
Specifications & Purity	≥99%(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 Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Fatty acid ester - Dicarboxylic acid or derivatives - 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	fatty acid ester
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	488180889
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488180889
IUPAC Name	bis(2-methylpropyl) hexanedioate
INCHI	InChI=1S/C14H26O4/c1-11(2)9-17-13(15)7-5-6-8-14(16)18-10-12(3)4/h11-12H,5-10H2,1-4H3
InChIKey	RDOFJDLLWVCMRU-UHFFFAOYSA-N
Smiles	CC(C)COC(=O)CCCCC(=O)OCC(C)C
Isomeric SMILES	CC(C)COC(=O)CCCCC(=O)OCC(C)C
RTECS	AV1480000
Molecular Weight	258.36
Beilstein	2(4)1962
Reaxy-Rn	1791084
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1791084&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

17 results found

Lot Number	Certificate Type	Date	Item
A2331454	Certificate of Analysis	Feb 03, 2023	D155177
I1817068	Certificate of Analysis	Jul 19, 2022	D155177
G2229339	Certificate of Analysis	Jul 19, 2022	D155177
G2229308	Certificate of Analysis	Jul 19, 2022	D155177
G2229340	Certificate of Analysis	Jul 19, 2022	D155177
G2229336	Certificate of Analysis	Jul 19, 2022	D155177
G2229338	Certificate of Analysis	Jul 19, 2022	D155177
L2419355	Certificate of Analysis	Jul 19, 2022	D155177
H2203234	Certificate of Analysis	Jul 19, 2022	D155177
H2203233	Certificate of Analysis	Jul 19, 2022	D155177
D2228181	Certificate of Analysis	Mar 24, 2022	D155177
D2228171	Certificate of Analysis	Mar 24, 2022	D155177
D2228147	Certificate of Analysis	Mar 24, 2022	D155177
D2228144	Certificate of Analysis	Mar 24, 2022	D155177
A2331458	Certificate of Analysis	Mar 24, 2022	D155177
A2221107	Certificate of Analysis	Jan 13, 2022	D155177
A2221105	Certificate of Analysis	Jan 13, 2022	D155177

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Chemical and Physical Properties

Refractive Index	1.43
Flash Point(°F)	156°C(lit.)
Flash Point(°C)	156°C(lit.)
Boil Point(°C)	293 °C
Melt Point(°C)	-22 °C
Molecular Weight	258.350 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	11
Exact Mass	258.183 Da
Monoisotopic Mass	258.183 Da
Topological Polar Surface Area	52.600 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	220.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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