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4-(TERT.-PENTYL)-CYCLOHEXANONE - 97%, high purity , CAS No.16587-71-6

COA

Grade & Purity:

≥97%

Cas Number: 16587-71-6
Molecular Weight: 168.281
PubChem CID: 27941

In stock

Item Number

T167768

Grouped product items
SKU	Size	Availability	Price
T167768-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
T167768-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$15.90
T167768-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$22.90
T167768-50g	50g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$34.90

Basic Description

Synonyms	16587-71-6 \| 4-(tert-Pentyl)cyclohexanone \| 4-tert-Pentylcyclohexanone \| 4-tert-Amylcyclohexanone \| 4-(2-methylbutan-2-yl)cyclohexan-1-one \| Cyclohexanone, 4-(1,1-dimethylpropyl)- \| 4-(1,1-Dimethylpropyl)cyclohexanone \| CYCLOHEXANONE, 4-tert-PENTYL- \| Orivone \| NSC 21167 \| 4
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Cyclic ketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones
Direct Parent	Cyclic ketones
Alternative Parents	Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclic ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety.
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	4-(2-methylbutan-2-yl)cyclohexan-1-one
INCHI	InChI=1S/C11H20O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h9H,4-8H2,1-3H3
InChIKey	DCSKAMGZSIRJAQ-UHFFFAOYSA-N
Smiles	CCC(C)(C)C1CCC(=O)CC1
Isomeric SMILES	CCC(C)(C)C1CCC(=O)CC1
PubChem CID	27941
Molecular Weight	168.281

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

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

Analytical Chart:

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Lot Number	Certificate Type	Date	Item
E2415114	Certificate of Analysis	Apr 16, 2024	T167768

Chemical and Physical Properties

Molecular Weight	168.280 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	168.151 Da
Monoisotopic Mass	168.151 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	160.000
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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