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4-Methoxy-3-buten-2-one - 90%, high purity , CAS No.4652-27-1

COA

Grade & Purity:

≥90%

Cas Number: 4652-27-1
Molecular Weight: 100.12
MDL number: MFCD00008778
PubChem CID: 639675
PubChem SID: 504759670

In stock

Item Number

M113467

Grouped product items
SKU	Size	Availability	Price
M113467-5g	5g	2	$42.90
M113467-10g	10g	3	$64.90
M113467-25g	25g	3	$145.90
M113467-50g	50g	3	$255.90
M113467-100g	100g	2	$459.90

Basic Description

Synonyms	AKOS005259956 \| 4-Methoxy-3-buten-2-one \| 4-METHOXY-3-BUTEN-2-ONE51731-17-0 \| DTXSID501308458 \| (3E)-4-Methoxy-3-buten-2-one # \| (E)-4-methoxy-but-3-en-2-one \| (E)-4-methoxybut-3-en-2-one \| J-515639 \| A850060 \| EINECS 257-364-0 \| 4-Methoxybut-3-en-2-one \|
Specifications & Purity	≥90%
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.
Product Description	4-Methoxy-3-buten-2-one is a reactant in the synthesis of hydroisoquinoline derivatives as an intermediate for the synthesis of manzamine. A reactant in the synthesis of hydroisoquinoline derivatives as an intermediate for the synthesis of manzamine

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	Vinylogous esters Acryloyl compounds Ketones Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Vinylogous ester - 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	504759670
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504759670
IUPAC Name	(E)-4-methoxybut-3-en-2-one
INCHI	InChI=1S/C5H8O2/c1-5(6)3-4-7-2/h3-4H,1-2H3/b4-3+
InChIKey	VLLHEPHWWIDUSS-ONEGZZNKSA-N
Smiles	CC(=O)C=COC
Isomeric SMILES	CC(=O)/C=C/OC
Molecular Weight	100.12
Reaxy-Rn	1741053
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1741053&ln=

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

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

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
D1918092	Certificate of Analysis	Aug 22, 2024	M113467
F2210842	Certificate of Analysis	Mar 13, 2024	M113467
F2210838	Certificate of Analysis	Mar 13, 2024	M113467
F2210826	Certificate of Analysis	Mar 13, 2024	M113467
D1501078	Certificate of Analysis	Aug 06, 2022	M113467

Chemical and Physical Properties

Refractive Index	1.465-1.469
Flash Point(°F)	63 °C
Flash Point(°C)	63°C
Boil Point(°C)	200°C
Molecular Weight	100.120 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	100.052 Da
Monoisotopic Mass	100.052 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	84.100
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

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