The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
Didecyl phthalate - analytical standard,for environmental analysis, high purity , CAS No.84-77-5
Basic Description
Synonyms
DIDECYL PHTHALATE | 84-77-5 | Di-n-decyl phthalate | Decyl phthalate | Vinicizer 105 | Vinysize 105 | 1,2-Benzenedicarboxylic acid, didecyl ester | Phthalic acid, didecyl ester | Didecyl 1,2-Benzenedicarboxylate | FI5FBN947Z | DTXSID3026512 | CHEBI:34676 | 1,2-Benzenedicarboxyli
Specifications & Purity
analytical standard, for environmental analysis
Shipped In
Normal
Grade
analytical standard, for environmental analysis
Taxonomic Classification
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
Data sources
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.
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)
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 Ų
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
Citations of This Product
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
4 Citations
I2410531