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Didecyl phthalate - 95%, high purity , CAS No.84-77-5

4 Citations

COA

Grade & Purity:

≥95%

Cas Number: 84-77-5
Molecular Weight: 446.66
Beilstein Registry Number: 1893077
EC Number: 201-561-6
MDL number: MFCD00041915
PubChem CID: 6788

In stock

Item Number

D104486

Grouped product items
SKU	Size	Availability	Price
D104486-25g	25g	3	$35.90
D104486-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$98.90
D104486-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$344.90

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Benzene ring compounds (72)

Basic Description

Synonyms	Q27116217 \| SCHEMBL49699 \| NCGC00248608-01 \| didecyl benzene-1,2-dicarboxylate \| Didecyl phthalate, analytical standard \| Didecyl 1,2-Benzenedicarboxylate \| EINECS 201-561-6 \| MFCD00041915 \| Phthalic acid, bis-n-decyl ester \| Phthalic acid, bis-n-decyl es
Specifications & Purity	≥95%
Shipped In	Normal
Product Description	Didecyl phthalate has been used as stationary liquid phase in the analysis and separation of terpene hydrocarbons and other related compounds using gas chromatography method (GC). Didecyl phthalate may be used as an analytical reference standard for the quantification of the analyte in environmental samples, plastics and agricultural plastic filmsusing various chromatography techniques.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acid esters
Alternative Parents	Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acid esters Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoate ester - Benzoyl - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors	2-hydroxyisophthalic acid
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	didecyl benzene-1,2-dicarboxylate
INCHI	InChI=1S/C28H46O4/c1-3-5-7-9-11-13-15-19-23-31-27(29)25-21-17-18-22-26(25)28(30)32-24-20-16-14-12-10-8-6-4-2/h17-18,21-22H,3-16,19-20,23-24H2,1-2H3
InChIKey	PGIBJVOPLXHHGS-UHFFFAOYSA-N
Smiles	CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCC
Isomeric SMILES	CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCC
WGK Germany	1
RTECS	TI0900000
Molecular Weight	446.66
Beilstein	1893077
Reaxy-Rn	1893077
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1893077&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
I2209174	Certificate of Analysis	Jul 26, 2022	D104486
I2209175	Certificate of Analysis	Jul 26, 2022	D104486
I2207176	Certificate of Analysis	Jul 26, 2022	D104486
F23061502	Certificate of Analysis	Jul 26, 2022	D104486
I2414084	Certificate of Analysis	Jul 26, 2022	D104486
B2223107	Certificate of Analysis	Feb 28, 2022	D104486

Chemical and Physical Properties

Refractive Index	1.479-1.484
Flash Point(°F)	232℃
Flash Point(°C)	232℃
Boil Point(°C)	261°C
Melt Point(°C)	4°C
Molecular Weight	446.700 g/mol
XLogP3	11.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	22
Exact Mass	446.34 Da
Monoisotopic Mass	446.34 Da
Topological Polar Surface Area	52.600 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	420.000
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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