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2-Cyclohexen-1-one - ≥97%, high purity , CAS No.930-68-7

    Grade & Purity:
  • ≥97%
In stock
Item Number
C113783
Grouped product items
SKU Size
Availability
Price Qty
C113783-5g
5g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$68.90
C113783-25g
25g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$29.90
C113783-100g
100g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$89.90
C113783-500g
500g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$294.90
View related series
ketone (798)

Basic Description

Specifications & Purity ≥97%
Shipped In Normal
Product Description

Versatile electrophile employed in a range of addition reactions including conjugate addition of organocopper nucleophiles, Michael reaction with enol silanes, and phosphoniosilylations.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organic oxygen compounds
Class Organooxygen compounds
Subclass Carbonyl compounds
Intermediate Tree Nodes Ketones - Cyclic ketones
Direct Parent Cyclohexenones
Alternative Parents Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aliphatic homomonocyclic compounds
Substituents Cyclohexenone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
Description This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.
External Descriptors a small molecule

Associated Targets(Human)

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Lymphoblastoid cell (5959 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BALB/3T3 (534 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name cyclohex-2-en-1-one
INCHI InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2
InChIKey FWFSEYBSWVRWGL-UHFFFAOYSA-N
Smiles C1CC=CC(=O)C1
Isomeric SMILES C1CC=CC(=O)C1
Molecular Weight 96.13
Reaxy-Rn 1280477
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1280477&ln=

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.

1 results found

Lot Number Certificate Type Date Item
H2406179 Certificate of Analysis Apr 11, 2024 C113783

Chemical and Physical Properties

Flash Point(°C) 58°C
Boil Point(°C) 171-173°C
Melt Point(°C) -53°C
Molecular Weight 96.130 g/mol
XLogP3 0.600
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 96.0575 Da
Monoisotopic Mass 96.0575 Da
Topological Polar Surface Area 17.100 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 103.000
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

Solution Calculators

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