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Dibutyl Adipate - analytical standard, high purity , CAS No.105-99-7

COA

Grade & Purity:

analytical standard

Cas Number: 105-99-7
Molecular Weight: 258.35
EC Number: 203-350-4
MDL number: MFCD00009451
PubChem CID: 7784

In stock

Item Number

D114130

Grouped product items
SKU	Size	Availability	Price
D114130-100mg	100mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$90.90
D114130-250mg	250mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$171.90
D114130-500mg	500mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$241.90
D114130-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$344.90
D114130-2g	2g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$533.90
D114130-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,013.90

Basic Description

Synonyms	DIBUTYL ADIPATE \| 105-99-7 \| Dibutyl hexanedioate \| Butyl adipate \| Di-n-butyl adipate \| Hexanedioic acid, dibutyl ester \| Cetiol B \| Adipic acid, dibutyl ester \| Experimental tick repellent 3 \| 3 PS \| Adipic acid dibutyl ester \| Experimental tick repellent 3PS \| Dibutyl adipina
Specifications & Purity	analytical standard
Shipped In	Normal
Grade	analytical standard

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

IUPAC Name	dibutyl hexanedioate
INCHI	InChI=1S/C14H26O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-12H2,1-2H3
InChIKey	XTJFFFGAUHQWII-UHFFFAOYSA-N
Smiles	CCCCOC(=O)CCCCC(=O)OCCCC
Isomeric SMILES	CCCCOC(=O)CCCCC(=O)OCCCC
WGK Germany	1
RTECS	AV0900000
Molecular Weight	258.35
Reaxy-Rn	1790739
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1790739&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
K2108267	Certificate of Analysis	Aug 01, 2023	D114130
K2108811	Certificate of Analysis	Aug 01, 2023	D114130
K2108270	Certificate of Analysis	Aug 01, 2023	D114130
K2108269	Certificate of Analysis	Aug 01, 2023	D114130
K2108808	Certificate of Analysis	Aug 01, 2023	D114130
K2108268	Certificate of Analysis	Aug 01, 2023	D114130

Chemical and Physical Properties

Solubility	Insoluble in water, soluble in alcohol and ether.
Refractive Index	1.436
Flash Point(°F)	113 °C
Flash Point(°C)	113°C
Boil Point(°C)	305°C
Melt Point(°C)	-32°C
Molecular Weight	258.350 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	13
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	202.000
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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