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4-Methyl-2-pentenal - ≥95%, high purity , CAS No.5362-56-1

COA

Grade & Purity:

≥95%

Cas Number: 5362-56-1
EC Number: 226-348-5,839-179-2
PubChem CID: 5916154

In stock

Item Number

M709800

Grouped product items
SKU	Size	Availability	Price	Qty
M709800-5ml	5ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$410.90

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 aldehydes
        Level7 Enals

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated aldehydes
Direct Parent	Enals
Alternative Parents	Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework	Aliphatic acyclic compounds
Substituents	Enal - Organic oxide - Hydrocarbon derivative - Aldehyde - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as enals. These are an alpha,beta-unsaturated aldehyde of general formula RC=C-CH=O in which the aldehydic C=O function is conjugated to a C=C triple bond at the alpha,beta position.
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	(E)-4-methylpent-2-enal
INCHI	InChI=1S/C6H10O/c1-6(2)4-3-5-7/h3-6H,1-2H3/b4-3+
InChIKey	RIWPMNBTULNXOH-ONEGZZNKSA-N
Smiles	CC(C)C=CC=O
Isomeric SMILES	CC(C)/C=C/C=O
Alternate CAS	5362-56-1,24502-08-7
PubChem CID	5916154

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	98.140 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	98.0732 Da
Monoisotopic Mass	98.0732 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	72.200
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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