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3-Ethoxymethacrolein - 96%, high purity , CAS No.42588-57-8

COA

Grade & Purity:

≥96%

Cas Number: 42588-57-8
Molecular Weight: 114.15
MDL number: MFCD00006975
PubChem CID: 3084868

In stock

Item Number

E468159

Grouped product items
SKU	Size	Availability	Price	Qty
E468159-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$137.90
E468159-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,240.90

Basic Description

Synonyms	(2E)-3-ethoxy-2-methylprop-2-enal \| 3-Ethoxymethacrolein, 96% \| AS-47052 \| GEO-04327 \| J-640340 \| 2-Propenal, 3-ethoxy-2-methyl- \| 3-Ethoxy-2-methylacroleine \| (2E)-3-Ethoxy-2-methyl-2-propenal # \| EINECS 255-899-4 \| 3-Ethoxy-2-methylacrylaldehyde \| AKOS0
Specifications & Purity	≥96%
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	Description 3-Ethoxymethacrolein was used in the synthesis of:5,10-dideaza-5,6,7,8-tetrahydrofolic acid (DDATHF)quinolines via modified Friedlander synthesis3-[2-isopropyl-5-methylcyclohexyloxy-(1R, 2S, 5R)]-2-methyl-2E-propenal

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	Vinylogous esters Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework	Aliphatic acyclic compounds
Substituents	Vinylogous ester - 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)-3-ethoxy-2-methylprop-2-enal
INCHI	InChI=1S/C6H10O2/c1-3-8-5-6(2)4-7/h4-5H,3H2,1-2H3/b6-5+
InChIKey	KDOAHVPFGIYCEU-AATRIKPKSA-N
Smiles	CCOC=C(C)C=O
Isomeric SMILES	CCO/C=C(\C)/C=O
Molecular Weight	114.15
Reaxy-Rn	969467
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969467&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	114.140 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	114.068 Da
Monoisotopic Mass	114.068 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	94.700
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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