Basic Description

Synonyms	AKOS015950699 \| InChI=1/C10H16/c1-6-7(2)9(4)10(5)8(6)3/h6H,1-5H3 \| WQIQNKQYEUMPBM-UHFFFAOYSA- \| NSC222823 \| NSC-222823 \| 1,2,3,4,5-Pentamethyl cyclopentadiene \| AMY6945 \| A825115 \| UNII-DSE3MRZ77C \| 1,2,3,4,5-Pentamethylcyclopentadiene, 95% \| 1,3-Cyclopen
Specifications & Purity	≥93%(GC)
Storage Temp	Protected from light,Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Cyclopentadienyl replacement ligand employed to alter the stability and reactivity of organometallic complexes. Ligand recently used in a "one-pot" iridium-catalyzed transformation of alcohols to amides via the intermediacy of oximes.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Hydrocarbons
  - Class Unsaturated hydrocarbons
    - Subclass Branched unsaturated hydrocarbons

Kingdom	Organic compounds
Superclass	Hydrocarbons
Class	Unsaturated hydrocarbons
Subclass	Branched unsaturated hydrocarbons
Intermediate Tree Nodes	Not available
Direct Parent	Branched unsaturated hydrocarbons
Alternative Parents	Cycloalkenes Unsaturated aliphatic hydrocarbons
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Branched unsaturated hydrocarbon - Cycloalkene - Cyclic olefin - Unsaturated aliphatic hydrocarbon - Olefin - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as branched unsaturated hydrocarbons. These are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch.
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	504755202
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755202
IUPAC Name	1,2,3,4,5-pentamethylcyclopenta-1,3-diene
INCHI	InChI=1S/C10H16/c1-6-7(2)9(4)10(5)8(6)3/h6H,1-5H3
InChIKey	WQIQNKQYEUMPBM-UHFFFAOYSA-N
Smiles	CC1C(=C(C(=C1C)C)C)C
Isomeric SMILES	CC1C(=C(C(=C1C)C)C)C
WGK Germany	3
PubChem CID	77667
UN Number	3295
Packing Group	III
Molecular Weight	136.24
Beilstein	1849830
Reaxy-Rn	1849832

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
K2125203	Certificate of Analysis	Sep 11, 2023	P133431
I2423601	Certificate of Analysis	Sep 11, 2023	P133431
K2125298	Certificate of Analysis	Sep 11, 2023	P133431
K1727043	Certificate of Analysis	May 10, 2023	P133431
L1829020	Certificate of Analysis	Sep 19, 2022	P133431
L1829021	Certificate of Analysis	Sep 19, 2022	P133431

Chemical and Physical Properties

Solubility	Miscible with methanol. dichloromethane and ethyl acetate. Slightly miscible with water.
Sensitivity	Air & Light sensitive
Refractive Index	1.47
Flash Point(°F)	111.2 °F
Flash Point(°C)	44 °C
Boil Point(°C)	60°C/14mmHg
Molecular Weight	136.230 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	136.125 Da
Monoisotopic Mass	136.125 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	192.000
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

Documents & Articles

Diels–Alder Reaction

Categories: Technical articles

Tags:

Organic block Diels-Alder Reaction

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Li Qiao, Jing Zhang, Yongjian Jiang, Bianqin Ma, Haomin Chen, Peng Gao, Pengfei Zhang, Anming Wang, Roger A. Sheldon. (2024) Near-infrared light-driven asymmetric photolytic reduction of ketone using inorganic-enzyme hybrid biocatalyst. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, 264 (130612).
2. Li Qiao, Bianqin Ma, Yongjian Jiang, Xiaoting Pan, Zhili Mao, Yi Zhang, Roger A. Sheldon, Anming Wang. (2025) Turning the band alignment of carbon dots for visible-light-driven enzymatic asymmetric reduction of aromatic ketone. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, 295 (139444).

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SKU	Size	Availability	Price
P133431-1ml	1ml	1	$24.90
P133431-5ml	5ml	1	$93.90
P133431-10ml	10ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$167.90
P133431-25ml	25ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$329.90
P133431-100ml	100ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,186.90

1,2,3,4,5-Pentamethylcyclopentadiene - ≥93.0%(GC), high purity , CAS No.4045-44-7