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Diethyldicyclopentadiene,mixture of isomers - 90%, high purity , CAS No.874651-66-8

COA

Grade & Purity:

≥90%

Cas Number: 874651-66-8
Molecular Weight: 188.31
PubChem CID: 22909828
PubChem SID: 504769321

In stock

Item Number

D487327

Grouped product items
SKU	Size	Availability	Price	Qty
D487327-1g	1g	1	$101.90

Basic Description

Synonyms	1,1-Diethyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoindene \| diethyl dicyclopentadiene \| 5,5-diethyltricyclo[5.2.1.02,6]deca-3,8-diene \| DTXSID90628858 \| AKOS015906618 \| I14-2141 \| 4,7-Methano-1H-indene, diethyl-3a,4,7,7a-tetrahydro- \| J-018100
Specifications & Purity	≥90%
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Hydrocarbons
  - Class Polycyclic hydrocarbons

Kingdom	Organic compounds
Superclass	Hydrocarbons
Class	Polycyclic hydrocarbons
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Polycyclic hydrocarbons
Alternative Parents	Cyclic olefins Unsaturated aliphatic hydrocarbons
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Polycyclic hydrocarbon - Cyclic olefin - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Olefin - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as polycyclic hydrocarbons. These are polycyclic organic compounds made up only of carbon and hydrogen atoms.
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	504769321
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504769321
IUPAC Name	5,5-diethyltricyclo[5.2.1.02,6]deca-3,8-diene
INCHI	InChI=1S/C14H20/c1-3-14(4-2)8-7-12-10-5-6-11(9-10)13(12)14/h5-8,10-13H,3-4,9H2,1-2H3
InChIKey	QWQMAINGVKHIQJ-UHFFFAOYSA-N
Smiles	CCC1(C=CC2C1C3CC2C=C3)CC
Isomeric SMILES	CCC1(C=CC2C1C3CC2C=C3)CC
WGK Germany	3
Alternate CAS	307496-25-9
PubChem CID	22909828
Molecular Weight	188.31

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

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Analytical Chart:

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Lot Number	Certificate Type	Date	Item
I2312444	Certificate of Analysis	Aug 29, 2023	D487327

Chemical and Physical Properties

Sensitivity	Heat sensitive
Refractive Index	1.496
Flash Point(°F)	185 °F
Flash Point(°C)	85 °C
Boil Point(°C)	191 °C
Molecular Weight	188.310 g/mol
XLogP3	4.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	188.157 Da
Monoisotopic Mass	188.157 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	293.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	4
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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