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1,4-Dioctylbenzene - 95%, high purity , CAS No.10541-38-5

COA

Grade & Purity:

≥95%

Cas Number: 10541-38-5
Molecular Weight: 302.54
MDL number: MFCD05865209
PubChem CID: 11055786

In stock

Item Number

D467032

Grouped product items
SKU	Size	Availability	Price	Qty
D467032-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$387.90

Basic Description

Synonyms	p-Dioctylbenzene \| AKOS015889142 \| DTXSID70453600 \| Benzene, 1,4-dioctyl- \| 1,4-Dioctylbenzene \| 1 4-DIOCTYLBENZENE 95 \| 1,4-Dioctylbenzene, 95%
Specifications & Purity	≥95%
Product Description	Description 1,4-Dioctylbenzene can be synthesized by treating 1,4-dichlorobenzene with a suitable grignard reagent like octyl magnesium bromide and 1-bromooctane.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzene and substituted derivatives
Alternative Parents	Aromatic hydrocarbons Unsaturated hydrocarbons
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Monocyclic benzene moiety - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
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

IUPAC Name	1,4-dioctylbenzene
INCHI	InChI=1S/C22H38/c1-3-5-7-9-11-13-15-21-17-19-22(20-18-21)16-14-12-10-8-6-4-2/h17-20H,3-16H2,1-2H3
InChIKey	WNLMYIPOMNQVLC-UHFFFAOYSA-N
Smiles	CCCCCCCCC1=CC=C(C=C1)CCCCCCCC
Isomeric SMILES	CCCCCCCCC1=CC=C(C=C1)CCCCCCCC
WGK Germany	3
Molecular Weight	302.54
Reaxy-Rn	2558115
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2558115&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Flash Point(°F)	>230 °F
Flash Point(°C)	>110 °C
Molecular Weight	302.500 g/mol
XLogP3	10.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	14
Exact Mass	302.297 Da
Monoisotopic Mass	302.297 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	188.000
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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