Skip to the beginning of the images gallery

4-Formylphenoxyacetic Acid - >97.0%(HPLC)(T), high purity , CAS No.22042-71-3

COA

Grade & Purity:

≥97%(HPLC)(T)

Cas Number: 22042-71-3
Molecular Weight: 180.16
Beilstein Registry Number: 779885
MDL number: MFCD00016613
PubChem CID: 89177
PubChem SID: 488186546

In stock

Item Number

F156781

Grouped product items
SKU	Size	Availability	Price
F156781-5g	5g	9	$57.90
F156781-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$87.90
F156781-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$169.90
F156781-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$608.90

View related series

aldehyde (388) Carbonyl compound (2335)

Basic Description

Synonyms	Acetic acid, (4-formylphenoxy)- \| AG-205/04819042 \| AS-19908 \| 4-carboxymethoxy-benzaldehyde \| (4-formylphenoxy)acetic acid \| (4-formyl-phenoxy)-acetic acid \| BBL023166 \| 4-FORMYLPHENOXYACETICACID \| Acetic acid, 2-(4-formylphenoxy)- \| 2-(4-formylphenoxy)a
Specifications & Purity	≥97%(HPLC)(T)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenoxyacetic acid derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenoxyacetic acid derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Phenoxyacetic acid derivatives
Alternative Parents	Phenoxy compounds Phenol ethers Benzoyl derivatives Benzaldehydes Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxyacetate - Phenoxy compound - Benzaldehyde - Benzoyl - Phenol ether - Alkyl aryl ether - Aryl-aldehyde - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aldehyde - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
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	488186546
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488186546
IUPAC Name	2-(4-formylphenoxy)acetic acid
INCHI	InChI=1S/C9H8O4/c10-5-7-1-3-8(4-2-7)13-6-9(11)12/h1-5H,6H2,(H,11,12)
InChIKey	OYNIIKHNXNPSAG-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C=O)OCC(=O)O
Isomeric SMILES	C1=CC(=CC=C1C=O)OCC(=O)O
WGK Germany	3
Molecular Weight	180.16
Beilstein	779885
Reaxy-Rn	779885
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=779885&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
F2414080	Certificate of Analysis	Jun 24, 2024	F156781
H2020278	Certificate of Analysis	Jun 14, 2024	F156781
H2020277	Certificate of Analysis	Jun 14, 2024	F156781
H2020276	Certificate of Analysis	Jun 14, 2024	F156781
L2216448	Certificate of Analysis	Dec 22, 2022	F156781

Chemical and Physical Properties

Solubility	Solubility in hot Methanol within almost transparency
Sensitivity	Air Sensitive
Melt Point(°C)	193-198℃
Molecular Weight	180.160 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	180.042 Da
Monoisotopic Mass	180.042 Da
Topological Polar Surface Area	63.600 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	182.000
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

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