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(2-Isopropyl-5-methylphenoxy)acetic acid - 97%, high purity , CAS No.5333-40-4

COA

Grade & Purity:

≥97%

Cas Number: 5333-40-4
Molecular Weight: 208.3
MDL number: MFCD00021757
PubChem CID: 220116
PubChem SID: 488188653

In stock

Item Number

I185035

Grouped product items
SKU	Size	Availability	Price
I185035-100mg	100mg	3	$9.90
I185035-250mg	250mg	3	$11.90
I185035-1g	1g	3	$35.90
I185035-5g	5g	5	$134.90

View related series

carboxylic acid (2098) Non heterocyclic block (8163)

Basic Description

Synonyms	AKOS000104767 \| SR-01000253002-1 \| I1014 \| MFCD00021757 \| SCHEMBL1979911 \| NSC2403 \| NSC-2403 \| 2-(2-Isopropyl-5-methylphenoxy)aceticAcid \| AG-205/03636036 \| Cambridge id 7159940 \| Z56820873 \| Acetic acid, [5-methyl-2-(1-methylethyl)phenoxy]- \| BBL014295
Specifications & Purity	≥97%
Storage Temp	Room temperature
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	Monocyclic monoterpenoids Aromatic monoterpenoids Phenylpropanes Cumenes Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxyacetate - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Cumene - Phenylpropane - Phenol ether - Phenoxy compound - Alkyl aryl ether - Toluene - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - 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	488188653
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488188653
IUPAC Name	2-(5-methyl-2-propan-2-ylphenoxy)acetic acid
INCHI	InChI=1S/C12H16O3/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h4-6,8H,7H2,1-3H3,(H,13,14)
InChIKey	MURZAHIYMVFXCF-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C=C1)C(C)C)OCC(=O)O
Isomeric SMILES	CC1=CC(=C(C=C1)C(C)C)OCC(=O)O
Molecular Weight	208.3
Reaxy-Rn	2559334
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2559334&ln=

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

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Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
F2325245	Certificate of Analysis	May 30, 2023	I185035
F2325238	Certificate of Analysis	May 30, 2023	I185035
F2325240	Certificate of Analysis	May 30, 2023	I185035
F2325232	Certificate of Analysis	May 30, 2023	I185035
F2325242	Certificate of Analysis	May 30, 2023	I185035
F2325243	Certificate of Analysis	May 30, 2023	I185035
F2325244	Certificate of Analysis	May 30, 2023	I185035
F2325241	Certificate of Analysis	May 30, 2023	I185035

Chemical and Physical Properties

Solubility	Soluble in Methanol
Melt Point(°C)	151 °C
Molecular Weight	208.250 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	208.11 Da
Monoisotopic Mass	208.11 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	213.000
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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