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Diisononyl Adipate (mixture of branched chain isomers) - 99%, high purity , CAS No.33703-08-1

COA

Grade & Purity:

≥99%

Cas Number: 33703-08-1
MDL number: MFCD00054165
PubChem CID: 6427097
PubChem SID: 488195763

In stock

Item Number

D405601

Grouped product items
SKU	Size	Availability	Price
D405601-25ml	25ml	5	$27.90
D405601-100ml	100ml	10	$91.90
D405601-500ml	500ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$409.90

View related series

Carboxylate (915) Non heterocyclic block (8163)

Basic Description

Synonyms	NCGC00247987-01 \| CCRIS 2004 \| EINECS 251-646-7 \| Tox21_300291 \| Bis(7-methyloctyl)adipate \| Diisononyl hexanedioate \| Bis(7-methyloctyl) hexanedioate, AldrichCPR \| NCGC00254100-01 \| DSSTox_RID_78631 \| EC 251-646-7 \| AYWLCKHHUFBVGJ-UHFFFAOYSA-N \| CAS-3370
Specifications & Purity	≥99%

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty alcohol esters
Intermediate Tree Nodes	Not available
Direct Parent	Fatty alcohol esters
Alternative Parents	Fatty acid esters Dicarboxylic acids and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Fatty alcohol ester - 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 alcohol esters. These are ester derivatives of a fatty alcohol.
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	488195763
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488195763
IUPAC Name	bis(7-methyloctyl) hexanedioate
INCHI	InChI=1S/C24H46O4/c1-21(2)15-9-5-7-13-19-27-23(25)17-11-12-18-24(26)28-20-14-8-6-10-16-22(3)4/h21-22H,5-20H2,1-4H3
InChIKey	AYWLCKHHUFBVGJ-UHFFFAOYSA-N
Smiles	CC(C)CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C
Isomeric SMILES	CC(C)CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C
Reaxy-Rn	13146111
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13146111&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
J2212295	Certificate of Analysis	Sep 08, 2022	D405601
J2212293	Certificate of Analysis	Sep 08, 2022	D405601
J2212296	Certificate of Analysis	Sep 08, 2022	D405601
J2212297	Certificate of Analysis	Sep 08, 2022	D405601
J2212294	Certificate of Analysis	Sep 08, 2022	D405601
G2307466	Certificate of Analysis	Sep 08, 2022	D405601
J2212298	Certificate of Analysis	Sep 08, 2022	D405601
K2414136	Certificate of Analysis	Sep 08, 2022	D405601
D2310247	Certificate of Analysis	Sep 08, 2022	D405601

Chemical and Physical Properties

Refractive Index	1.45
Flash Point(°C)	232 °C
Molecular Weight	398.600 g/mol
XLogP3	7.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	21
Exact Mass	398.34 Da
Monoisotopic Mass	398.34 Da
Topological Polar Surface Area	52.600 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	341.000
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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