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3-(p-Tolyl)propionic Acid - ≥98.0%(GC), high purity , CAS No.1505-50-6

COA

Grade & Purity:

≥98%(GC)

Cas Number: 1505-50-6
Molecular Weight: 164.2
MDL number: MFCD00016561
PubChem CID: 73927
PubChem SID: 488184835

In stock

Item Number

P138270

Grouped product items
SKU	Size	Availability	Price
P138270-1g	1g	9	$17.90
P138270-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$66.90
P138270-25g	25g	4	$332.90
P138270-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,197.90

View related series

carboxylic acid (2098) Non heterocyclic block (8163)

Basic Description

Synonyms	2-Cyclopentene-1-one \| 3-(p-Tolyl)propionic acid, 98% \| InChI=1/C10H12O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12 \| NSC 512 \| NSC512 \| NSC-512 \| 3-(p-Tolyl)propionic acid \| 3-p-tolylpropanoic acid \| (Methoxymethyl)oxirane \| 2ay4 \| Benzenepro
Specifications & Purity	≥98%(GC)
Shipped In	Normal
Product Description	3-(p-Tolyl)propionic acid was used during the coupling of 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide with 4,5-diphenyl-2-(2-p-tolyl-ethyl)-4,5-dihydro-1H-imidazole resin

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Phenylpropanoic acids

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Phenylpropanoic acids
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpropanoic acids
Alternative Parents	Toluenes Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	3-phenylpropanoic-acid - Toluene - Benzenoid - Monocyclic benzene moiety - Monocarboxylic acid or derivatives - 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 phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic 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

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	488184835
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488184835
IUPAC Name	3-(4-methylphenyl)propanoic acid
INCHI	InChI=1S/C10H12O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
InChIKey	LDYGRLNSOKABMM-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)CCC(=O)O
Isomeric SMILES	CC1=CC=C(C=C1)CCC(=O)O
WGK Germany	3
PubChem CID	73927
Molecular Weight	164.2
Reaxy-Rn	206164

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
A1812118	Certificate of Analysis	Mar 04, 2025	P138270
C2517765	Certificate of Analysis	Jun 13, 2024	P138270
C2507604	Certificate of Analysis	Jun 13, 2024	P138270
A1812117	Certificate of Analysis	Jun 08, 2023	P138270
D2325212	Certificate of Analysis	May 10, 2023	P138270
K2228529	Certificate of Analysis	Dec 09, 2022	P138270

Chemical and Physical Properties

Solubility	Soluble in Methanol
Melt Point(°C)	115-118°C
Molecular Weight	164.200 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	164.084 Da
Monoisotopic Mass	164.084 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	146.000
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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