Skip to the beginning of the images gallery

2-Octen-4-one - ≥96.0%（GC）, high purity , CAS No.4643-27-0

COA

Grade & Purity:

≥96%(GC)

Cas Number: 4643-27-0
Molecular Weight: 126.2
Beilstein Registry Number: 1(4)3489
MDL number: MFCD00061023
PubChem CID: 5365891
PubChem SID: 504763754

In stock

Item Number

O160046

Grouped product items
SKU	Size	Availability	Price
O160046-1ml	1ml	2	$46.90
O160046-5ml	5ml	3	$180.90
O160046-25ml	25ml	2	$812.90
O160046-100ml	100ml	1	$2,924.90

View related series

ketone (798) Non heterocyclic block (8163)

Basic Description

Synonyms	T72492 \| BUTYL 1-PROPENYL KETONE \| DTXCID1027134 \| O0360 \| C9NB51LMXT \| 2-2'-Dihydroxy-4-methoxybenzophenone \| BS-22947 \| (2E)-oct-2-en-4-one \| 2-Octen-4-one, (2E)- \| Phthaloylsulfacetamide \| CAS-4643-27-0 \| CHEBI:172018 \| NCGC00256657-01 \| Butyl propenyl
Specifications & Purity	≥96%(GC)
Storage Temp	Store at 2-8°C
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 Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Alpha,beta-unsaturated carbonyl compounds
        Level6 Alpha,beta-unsaturated ketones
        Level7 Enones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones
Direct Parent	Enones
Alternative Parents	Acryloyl compounds Ketones Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Enone - Acryloyl-group - Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as enones. These are compounds containing the enone functional group, with the structure RC(=O)CR'.
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	504763754
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504763754
IUPAC Name	(E)-oct-2-en-4-one
INCHI	InChI=1S/C8H14O/c1-3-5-7-8(9)6-4-2/h4,6H,3,5,7H2,1-2H3/b6-4+
InChIKey	FMDLEUPBHMCPQV-GQCTYLIASA-N
Smiles	CCCCC(=O)C=CC
Isomeric SMILES	CCCCC(=O)/C=C/C
Molecular Weight	126.2
Beilstein	1(4)3489
Reaxy-Rn	8899126
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8899126&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.

5 results found

Lot Number	Certificate Type	Date	Item
B2323031	Certificate of Analysis	Dec 05, 2022	O160046
B2323042	Certificate of Analysis	Dec 05, 2022	O160046
B2323194	Certificate of Analysis	Dec 05, 2022	O160046
B2323191	Certificate of Analysis	Dec 05, 2022	O160046
C2506135	Certificate of Analysis	Dec 05, 2022	O160046

Chemical and Physical Properties

Sensitivity	Heat Sensitive
Refractive Index	1.45
Flash Point(°F)	58°C(lit.)
Flash Point(°C)	58°C(lit.)
Boil Point(°C)	66°C/10mmHg(lit.)
Molecular Weight	126.200 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	126.104 Da
Monoisotopic Mass	126.104 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	103.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration