JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.

This is a demo store. No orders will be fulfilled.

Account

Settings

Language

྾

Home
Small Molecules & Compound Libraries
Signaling Pathways
Anti-infection
Fungal
4-Methylcinnamic acid, predominantly trans - 99%, high purity , CAS No.1866-39-3

Skip to the end of the images gallery

Skip to the beginning of the images gallery

4-Methylcinnamic acid, predominantly trans - 99%, high purity , CAS No.1866-39-3

1 Citations

COA

Grade & Purity:

≥99%

Cas Number: 1866-39-3
Molecular Weight: 162.19
Beilstein Registry Number: 9617
EC Number: 217-479-9
MDL number: MFCD00002697
PubChem CID: 731767
PubChem SID: 488191289

In stock

Item Number

M100698

Grouped product items
SKU	Size	Availability	Price
M100698-5g	5g	3	$9.90
M100698-25g	25g	2	$19.90
M100698-100g	100g	9	$71.90
M100698-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$323.90

View related series

Carbonyl compound (2335) carboxylic acid (2098) Fungal (844)

Basic Description

Synonyms	AKOS000263781 \| DTXSID20901045 \| J-650090 \| STK057700 \| (2E)-3-(4-Methylphenyl)-2-propenoic acid # \| (E)-3-(p-Tolyl)acrylicacid \| HMS1408G02 \| HY-W015399 \| trans-p-Methylcinnamic acid \| NoName_95 \| MFCD00002697 \| NSC 66272 \| Q63399423 \| 4-Methylcinnamic a
Specifications & Purity	≥99%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Cinnamic acids and derivatives
    - Subclass Cinnamic acids

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Cinnamic acids and derivatives
Subclass	Cinnamic acids
Intermediate Tree Nodes	Not available
Direct Parent	Cinnamic acids
Alternative Parents	Styrenes Toluenes Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Cinnamic acid - Styrene - 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 cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic 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

Associated Targets(non-human)

Hcar2 Hydroxycarboxylic acid receptor 2 (55 Activities)

Discover Target: Hcar2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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	488191289
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488191289
IUPAC Name	(E)-3-(4-methylphenyl)prop-2-enoic acid
INCHI	InChI=1S/C10H10O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+
InChIKey	RURHILYUWQEGOS-VOTSOKGWSA-N
Smiles	CC1=CC=C(C=C1)C=CC(=O)O
Isomeric SMILES	CC1=CC=C(C=C1)/C=C/C(=O)O
WGK Germany	3
Alternate CAS	940-61-4
Molecular Weight	162.19
Beilstein	9617
Reaxy-Rn	1364327
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1364327&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.

4 results found

Lot Number	Certificate Type	Date	Item
A2410078	Certificate of Analysis	Jan 22, 2024	M100698
J1816083	Certificate of Analysis	Aug 08, 2022	M100698
D2320065	Certificate of Analysis	Aug 08, 2022	M100698
D2318142	Certificate of Analysis	Aug 08, 2022	M100698

Chemical and Physical Properties

Melt Point(°C)	198-201°C
Molecular Weight	162.180 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	162.068 Da
Monoisotopic Mass	162.068 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	176.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Houmei Liu, Xiaojing Liang, Xusheng Wang, Yong Guo, Xia Liu. (2014) Polyelectrolyte assembled graphene oxide coated silica composite as sorbent for solid-phase extraction of cinnamic acid and its derivatives. RSC Advances, 5 (6): (4420-4427).

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

Reviews

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.