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1,5,9-Cyclododecatriene - 98% +(isomers mixture)(stabilized with 30-50ppm 4-tert-butylcatechol), high purity , CAS No.4904-61-4

COA

Grade & Purity:

≥98%
isomers mixture,stabilized with 30-50ppm 4-tert-butylcatechol

Cas Number: 4904-61-4
Molecular Weight: 162.27
EC Number: ‘211-626-0;220-437-2;225-533-8;211-893-3
PubChem CID: 12668

In stock

Item Number

C589248

Grouped product items
SKU	Size	Availability	Price	Qty
C589248-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$10.90

Basic Description

Synonyms	AKOS025243567 \| cyclododeca-1,5,9-triene \| 6-METHYL-2-PHENYL-QUINOLINE-4-CARBOXYLICACID \| DTXSID8027581 \| FT-0632784 \| ZOLLIQAKMYWTBR-UHFFFAOYSA-N \| trans,trans,trans-1,5,9-Cyclododecatriene \| 1,5,9-CYCLODODECATRIENE \| FT-0623870 \| trans,cis,cis-1,5,9-Cyc
Specifications & Purity	≥98%, isomers mixture,stabilized with 30-50ppm 4-tert-butylcatechol
Storage Temp	Store at 2-8°C,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Hydrocarbons
  - Class Unsaturated hydrocarbons
    - Subclass Olefins

Kingdom	Organic compounds
Superclass	Hydrocarbons
Class	Unsaturated hydrocarbons
Subclass	Olefins
Intermediate Tree Nodes	Not available
Direct Parent	Cyclic olefins
Alternative Parents	Unsaturated aliphatic hydrocarbons
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclic olefin - Unsaturated aliphatic hydrocarbon - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cyclic olefins. These are olefins that contain at least one ring in their structure.
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	cyclododeca-1,5,9-triene
INCHI	InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2
InChIKey	ZOLLIQAKMYWTBR-UHFFFAOYSA-N
Smiles	C1CC=CCCC=CCCC=C1
Isomeric SMILES	C1CC=CCCC=CCCC=C1
UN Number	2518
Packing Group	III
Molecular Weight	162.27
Reaxy-Rn	1903719
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1903719&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	162.270 g/mol
XLogP3	4.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	162.141 Da
Monoisotopic Mass	162.141 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	121.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	3
The total count of all stereochemical bonds	3
Covalently-Bonded Unit Count	1

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