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2-Phenoxymethylbenzoic Acid - 98%, high purity , CAS No.724-98-1

COA

Grade & Purity:

≥98%

Cas Number: 724-98-1
Molecular Weight: 228.25
Beilstein Registry Number: 10(1)95
MDL number: MFCD00020294
PubChem CID: 69761
PubChem SID: 504754437

In stock

Item Number

P160291

Grouped product items
SKU	Size	Availability	Price
P160291-1g	1g	3	$9.90
P160291-5g	5g	3	$33.90
P160291-25g	25g	1	$130.90
P160291-100g	100g	1	$468.90

View related series

Non heterocyclic block (8163) phenol (506)

Basic Description

Synonyms	2-(Phenoxymethyl)benzoicacid \| EN300-21189 \| SCHEMBL1368181 \| TCMDC-142367 \| 2-Phenoxymethylbenzoic acid \| D92039 \| NW1F23EG53 \| CS-0196422 \| A837545 \| FT-0613291 \| SKF-18326 \| AB00757107-01 \| phenoxymethylbenzoic acid \| TS-00577 \| EINECS 211-967-5 \| InCh
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acids
Alternative Parents	Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoic acid - Phenoxy compound - Phenol ether - Benzoyl - Alkyl aryl ether - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl 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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504754437
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754437
IUPAC Name	2-(phenoxymethyl)benzoic acid
INCHI	InChI=1S/C14H12O3/c15-14(16)13-9-5-4-6-11(13)10-17-12-7-2-1-3-8-12/h1-9H,10H2,(H,15,16)
InChIKey	YKNORODREYVARM-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)OCC2=CC=CC=C2C(=O)O
Isomeric SMILES	C1=CC=C(C=C1)OCC2=CC=CC=C2C(=O)O
PubChem CID	69761
Molecular Weight	228.25
Beilstein	10(1)95
Reaxy-Rn	2115283

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
J2314140	Certificate of Analysis	Sep 13, 2023	P160291
J2314143	Certificate of Analysis	Sep 13, 2023	P160291
J2314137	Certificate of Analysis	Sep 13, 2023	P160291
J2314139	Certificate of Analysis	Sep 13, 2023	P160291
J2314144	Certificate of Analysis	Sep 13, 2023	P160291
J2314138	Certificate of Analysis	Sep 13, 2023	P160291
J2314142	Certificate of Analysis	Sep 13, 2023	P160291
J2314141	Certificate of Analysis	Sep 13, 2023	P160291

Chemical and Physical Properties

Melt Point(°C)	126 °C
Molecular Weight	228.240 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	228.079 Da
Monoisotopic Mass	228.079 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	246.000
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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