Ethyl caffeate - ≥98% , CAS No.102-37-4

CAS: 102-37-4 Cat. No.: E189374 Molecular Weight: 208.21 EC Number: 108-430-1

3 Citations COA

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Ethyl caffeate - ≥98% CAS No(102-37-4) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥98%

Synonyms

4gqq | NSC619661 | NSC-619661 | ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate | (E)-ethyl caffeate | AC-34380 | HY-N6966 | 2-oxo-3-(phosphonooxy)-Propanoic acid | Caffeic acid ethyl ester | DTXSID201336725 | (E)-Ethyl Dihydroxycinnamate | 3-(3,4-Dihydroxy-ph

Storage

Room temperature

Shipped In

Normal

Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Documents & Articles Citations of This Product References Solution Calculators Reviews

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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Application

Ethyl caffeoate is a useful research chemical that can be used to mRNA maturation inhibition for cancer.

Specifications

Synonyms

4gqq | NSC619661 | NSC-619661 | ethyl 3-(3, 4-dihydroxyphenyl)prop-2-enoate | (E)-ethyl caffeate | AC-34380 | HY-N6966 | 2-oxo-3-(phosphonooxy)-Propanoic acid | Caffeic acid ethyl ester | DTXSID201336725 | (E)-Ethyl Dihydroxycinnamate | 3-(3, 4-Dihydroxy-ph

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid	504763575
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504763575
Canonical Smiles	CCOC(=O)C=CC1=CC(=C(C=C1)O)O
IUPAC Name	ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChIKey	WDKYDMULARNCIS-GQCTYLIASA-N
INCHI	1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+
Isomeric SMILES	CCOC(=O)/C=C/C1=CC(=C(C=C1)O)O
Molecular Weight	208.21
Reaxy-Rn	2646303
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2646303&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Cinnamic acids and derivatives
Subclass	Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Coumaric acids and derivatives
Alternative Parents	Cinnamic acid esters Styrenes Catechols Fatty acid esters 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Coumaric acid or derivatives - Cinnamic acid ester - Catechol - Styrene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty acid ester - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
External Descriptors	hydroxycinnamic acid
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

3D Structure

Associated Targets(Human)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

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

BeWo (124 Activities)

Lot Number	Certificate Type	Date	Item
I2203193	Certificate of Analysis	Mar 11, 2026	E189374
I2203194	Certificate of Analysis	Mar 11, 2026	E189374
I2203282	Certificate of Analysis	Mar 11, 2026	E189374
J2527098	Certificate of Analysis	Oct 29, 2025	E189374
J1921152	Certificate of Analysis	Feb 08, 2025	E189374
L2405205	Certificate of Analysis	Jun 17, 2024	E189374
I2202194	Certificate of Analysis	Jun 23, 2022	E189374

Molecular Weight	208.210 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	208.074 Da
Monoisotopic Mass	208.074 Da
Topological Polar Surface Area	66.800 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	237.000
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

1. Teng Sun, Haiping Zhang, Zhe Dong, Zengshe Liu, Mingming Zheng. (2020) Ultrasonic-promoted enzymatic preparation, identification and multi-active studies of nature-identical phenolic acid glycerol derivatives. RSC Advances, 10 (19): (11139-11147). [PMID:35495308] [10.1039/C9RA09830E]
2. Chunfang Xu, Haiping Zhang, Jie Shi, Mingming Zheng, Xia Xiang, Fenghong Huang, Junyong Xiao. (2017) Ultrasound irradiation promoted enzymatic alcoholysis for synthesis of monoglyceryl phenolic acids in a solvent-free system. ULTRASONICS SONOCHEMISTRY, [PMID:29137734] [10.1016/j.ultsonch.2017.09.016]
3. Zhen Liu, Ning Xu, Jumei Hou, Tong Liu. (2024) TbNACα negatively regulates Trichoderma breve T069 synthesis of ethyl caffeate and enhances antagonism of Sclerotium rolfsii1. Journal of Integrative Agriculture, [PMID:] [10.1016/j.jia.2024.01.030]