Diisobutyl Adipate - ≥99%(GC) , CAS No.141-04-8

CAS: 141-04-8 Cat. No.: D155177 Molecular Weight: 258.36 Beilstein Registry Number: 2(4)1962 EC Number: 205-450-3
AVAILABLE TO ORDER
GRADE & PURITY ≥99%(GC)
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
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
25ml
D155177-25ml
4
$19.90
100ml
D155177-100ml
10
$34.90
500ml
D155177-500ml
2
$74.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥99%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

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)
Storage
Room temperature
Shipped In
Normal
Purity
≥99%(GC)
Names and Identifiers
Pubchem Sid488180889
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488180889
Canonical SmilesCC(C)COC(=O)CCCCC(=O)OCC(C)C
IUPAC Namebis(2-methylpropyl) hexanedioate
InChIKeyRDOFJDLLWVCMRU-UHFFFAOYSA-N
INCHI1S/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
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=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
ClassFatty Acyls
SubclassFatty acid esters
Intermediate Tree Nodes Not available
Direct ParentFatty acid esters
Alternative Parents Dicarboxylic acids and derivatives  Carboxylic acid esters  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





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 NumberCertificate TypeDateItem
G2229340Certificate of AnalysisMay 19, 2026 D155177
G2229308Certificate of AnalysisMay 19, 2026 D155177
G2229336Certificate of AnalysisMay 19, 2026 D155177
G2229338Certificate of AnalysisMay 19, 2026 D155177
I1817068Certificate of AnalysisApr 15, 2026 D155177
D2228144Certificate of AnalysisFeb 04, 2026 D155177
D2228171Certificate of AnalysisFeb 04, 2026 D155177
A2331454Certificate of AnalysisFeb 03, 2023 D155177
G2229339Certificate of AnalysisJul 19, 2022 D155177
L2419355Certificate of AnalysisJul 19, 2022 D155177
H2203234Certificate of AnalysisJul 19, 2022 D155177
H2203233Certificate of AnalysisJul 19, 2022 D155177
D2228181Certificate of AnalysisMar 24, 2022 D155177
D2228147Certificate of AnalysisMar 24, 2022 D155177
A2331458Certificate of AnalysisMar 24, 2022 D155177
A2221107Certificate of AnalysisJan 13, 2022 D155177
A2221105Certificate of AnalysisJan 13, 2022 D155177

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Chemical and Physical Properties
Refractive Index1.43
Flash Point(°F)156°C(lit.)
Flash Point(°C)156°C(lit.)
Boil Point(°C)293 °C
Melt Point(°C)-22 °C
Molecular Weight258.350 g/mol
XLogP33.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass258.183 Da
Monoisotopic Mass258.183 Da
Topological Polar Surface Area52.600 Ų
Heavy Atom Count18
Formal Charge0
Complexity220.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

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