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2-Phenoxypropionic acid - analytical standard, high purity , CAS No.940-31-8

1 Citations

COA

Grade & Purity:

analytical standard

Cas Number: 940-31-8
Molecular Weight: 166.17
Beilstein Registry Number: 5734971
EC Number: 213-370-5
MDL number: MFCD00002643
PubChem CID: 13658

In stock

Item Number

P114961

Grouped product items
SKU	Size	Availability	Price
P114961-500mg	500mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$143.90
P114961-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$275.90
P114961-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,202.90

View related series

Carbonyl compound (2335) carboxylic acid (2098)

Basic Description

Synonyms	AB89135 \| BS-3903 \| Propanoic acid, 2-phenoxy- \| Propanoic acid, 2-phenoxy-, (.+/-.)- \| EINECS 213-370-5 \| STK397471 \| 2-Phenoxypropionicacid \| NSC404102 \| NSC-404102 \| SY049728 \| NSC 404102 \| alpha-Methylphenoxyacetic acid \| AI3-17384 \| 2-Phenoxypropanoi
Specifications & Purity	analytical standard
Shipped In	Normal
Grade	analytical standard

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass 2-phenoxypropionic acids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	2-phenoxypropionic acids
Intermediate Tree Nodes	Not available
Direct Parent	2-phenoxypropionic acids
Alternative Parents	Phenoxyacetic acid derivatives Phenoxy compounds Phenol ethers Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	2-phenoxypropionic acid - Phenoxyacetate - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as 2-phenoxypropionic acids. These are aromatic compounds hat contain a phenol ether attached to the C2-atom of a phenylpropionic acid.
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	2-phenoxypropanoic acid
INCHI	InChI=1S/C9H10O3/c1-7(9(10)11)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)
InChIKey	SXERGJJQSKIUIC-UHFFFAOYSA-N
Smiles	CC(C(=O)O)OC1=CC=CC=C1
Isomeric SMILES	CC(C(=O)O)OC1=CC=CC=C1
WGK Germany	1
RTECS	UF6515000
Molecular Weight	166.17
Beilstein	5734971
Reaxy-Rn	2047548
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2047548&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.

3 results found

Lot Number	Certificate Type	Date	Item
G2228868	Certificate of Analysis	May 15, 2024	P114961
G2228256	Certificate of Analysis	May 15, 2024	P114961
G2228869	Certificate of Analysis	May 15, 2024	P114961

Chemical and Physical Properties

Boil Point(°C)	265°C
Melt Point(°C)	112-115°C
Molecular Weight	166.170 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	166.063 Da
Monoisotopic Mass	166.063 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	150.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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