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Ethyl 4-(4-formyl-3-hydroxyphenoxy)butanoate - 97%, high purity , CAS No.152942-06-8

COA

Grade & Purity:

≥97%

Cas Number: 152942-06-8
Molecular Weight: 252.26
PubChem CID: 19603738

In stock

Item Number

E587387

Grouped product items
SKU	Size	Availability	Price	Qty
E587387-1g	1g	3	$19.90
E587387-5g	5g	3	$78.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged
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 Aldehydes
        Level6 Aryl-aldehydes
        Level7 Benzaldehydes
        Level8 Hydroxybenzaldehydes

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Aldehydes - Aryl-aldehydes - Benzaldehydes
Direct Parent	Hydroxybenzaldehydes
Alternative Parents	Phenoxy compounds Phenol ethers Benzoyl derivatives Fatty acid esters Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Hydroxybenzaldehyde - Phenoxy compound - Phenol ether - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Vinylogous acid - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group.
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	ethyl 4-(4-formyl-3-hydroxyphenoxy)butanoate
INCHI	InChI=1S/C13H16O5/c1-2-17-13(16)4-3-7-18-11-6-5-10(9-14)12(15)8-11/h5-6,8-9,15H,2-4,7H2,1H3
InChIKey	QVNCWTDCVZRKAD-UHFFFAOYSA-N
Smiles	CCOC(=O)CCCOC1=CC(=C(C=C1)C=O)O
Isomeric SMILES	CCOC(=O)CCCOC1=CC(=C(C=C1)C=O)O
Molecular Weight	252.26
Reaxy-Rn	8625270
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8625270&ln=

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

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

Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
I2321676	Certificate of Analysis	Sep 06, 2023	E587387
I2321679	Certificate of Analysis	Sep 06, 2023	E587387

Chemical and Physical Properties

Molecular Weight	252.260 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	252.1 Da
Monoisotopic Mass	252.1 Da
Topological Polar Surface Area	72.800 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	266.000
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

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