4-Methoxycinnamic acid, predominantly trans - ≥99% , CAS No.830-09-1

CAS: 830-09-1 Cat. No.: M100603 Molecular Weight: 178.18 Beilstein Registry Number: 10298 EC Number: 212-594-0
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
F1638-0067 | InChI=1/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+ | STK005095 | Tox21_111674 | 4-Methoxycinnamic acid;3-(4-Methoxyphenyl)acrylic acid | AC-10371 | bmse010212 | para-methoxycinnamic acid | trans-4-Methoxycinnamic acid
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
M100603-5g
8
$9.90
25g
M100603-25g
7
$10.90
100g
M100603-100g
7

$18.90

$28.90
Save $10.00 (34.60%)
250g
M100603-250g
6

$41.90

$62.90
Save $21.00 (33.39%)
500g
M100603-500g
1

$75.90

$113.90
Save $38.00 (33.36%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

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

📋

Quality documents

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

📚

Literature proof

Cited in 8 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
F1638-0067 | InChI=1/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H, 1H3, (H, 11, 12)/b7-4+ | STK005095 | Tox21_111674 | 4-Methoxycinnamic acid;3-(4-Methoxyphenyl)acrylic acid | AC-10371 | bmse010212 | para-methoxycinnamic acid | trans-4-Methoxycinnamic acid
Specifications & Purity
≥99%
Storage
Room temperature
Shipped In
Normal
Purity
≥99%
Names and Identifiers
Pubchem Sid488191182
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488191182
Canonical SmilesCOC1=CC=C(C=C1)C=CC(=O)O
IUPAC Name(E)-3-(4-methoxyphenyl)prop-2-enoic acid
InChIKeyAFDXODALSZRGIH-QPJJXVBHSA-N
INCHI1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+
Isomeric SMILES COC1=CC=C(C=C1)/C=C/C(=O)O
WGK Germany 3
RTECS UD3391300
Molecular Weight 178.18
Beilstein 10298
Reaxy-Rn 510468
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=510468&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

KingdomOrganic compounds
SuperclassPhenylpropanoids and polyketides
ClassCinnamic acids and derivatives
SubclassCinnamic acids
Intermediate Tree Nodes Not available
Direct ParentCinnamic acids
Alternative Parents Styrenes  Phenoxy compounds  Methoxybenzenes  Anisoles  Alkyl aryl ethers  Monocarboxylic acids and derivatives  Carboxylic acids  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Cinnamic acid - Phenoxy compound - Anisole - Methoxybenzene - Styrene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CA2 Tclin Carbonic anhydrase II (17698 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TYR Tclin Tyrosinase (717 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA9 Tclin Carbonic anhydrase IX (8255 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATM Tchem Serine-protein kinase ATM (4198 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PLC-PRF-5 (244 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hcar2 Hydroxycarboxylic acid receptor 2 (55 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAL62 Alpha-glucosidase MAL62 (106 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Saccharomyces cerevisiae (19171 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RBL-2H3 (1162 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Radish (446 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Dyrk1a Dual specificity tyrosine-phosphorylation-regulated kinase 1A (1629 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Abutilon theophrasti (831 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Malassezia furfur (70 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV-2 (38078 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
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.

18 results found

Lot NumberCertificate TypeDateItem
C1802040Certificate of AnalysisOct 14, 2025 M100603
I2123368Certificate of AnalysisJul 14, 2025 M100603
I2123367Certificate of AnalysisJul 14, 2025 M100603
I2123336Certificate of AnalysisJul 14, 2025 M100603
I2123328Certificate of AnalysisJul 14, 2025 M100603
K2415563Certificate of AnalysisJul 10, 2024 M100603
K2415561Certificate of AnalysisJul 10, 2024 M100603
E2310561Certificate of AnalysisDec 30, 2022 M100603
E2310563Certificate of AnalysisDec 30, 2022 M100603
E2310562Certificate of AnalysisDec 30, 2022 M100603
E2310560Certificate of AnalysisDec 30, 2022 M100603
E2310557Certificate of AnalysisDec 30, 2022 M100603
E2310553Certificate of AnalysisDec 30, 2022 M100603
E2310552Certificate of AnalysisDec 30, 2022 M100603
E2310551Certificate of AnalysisDec 30, 2022 M100603
E2310549Certificate of AnalysisDec 30, 2022 M100603
C1911199Certificate of AnalysisDec 14, 2022 M100603
D1520029Certificate of AnalysisDec 14, 2022 M100603

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Chemical and Physical Properties
SolubilitySoluble in dimethyl sulfoxide and methanol.
Melt Point(°C)170-173°C
Molecular Weight178.180 g/mol
XLogP31.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass178.063 Da
Monoisotopic Mass178.063 Da
Topological Polar Surface Area46.500 Ų
Heavy Atom Count13
Formal Charge0
Complexity190.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Jinghua Zhao, Runwei Yu, Limin Wu, Yi Li, Wei Liu, Yonggang Yang.  (2023)  A PSCLC Pattern Prepared Based on Handedness Inversion for Anti-counterfeiting.  Chemistry-An Asian Journal,  18  (19): (e202300636).  [PMID:37606182] [10.1002/asia.202300636]
2. Zhixia Wang.  (2023)  Investigation of effects of tropine-based surfactant structure on its thermal stability, foaming properties and solubilization.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2023.122869]
3. Ningning Zhao, Junpeng Xing, Zhong Zheng, Fengrui Song, Zhiqiang Liu, Shu Liu.  (2023)  A novel strategy on the study of whole intestinal metabolic profiles for Polygalae Radix before and after processing.  PHYTOCHEMICAL ANALYSIS,  34  (5): (540-547).  [PMID:37169718] [10.1002/pca.3234]
4. Zhixia Wang, Hang Song.  (2022)  The synthesis of quaternary N-alkyl tropinium cationic surfactants and study on their properties: effect of temperature, hydrophobic chain length and anions.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2022.133732]
5. Denghao Ouyang, Hongmei Chen, Nan Liu, Jingzhi Zhang, Xuebing Zhao.  (2021)  Insight into the negative effects of lignin on enzymatic hydrolysis of cellulose for biofuel production via selective oxidative delignification and inhibitive actions of phenolic model compounds.  RENEWABLE ENERGY,      [PMID:] [10.1016/j.renene.2021.12.036]
6. Ning-Ning ZHAO, Zhi-Qiang LIU, Mei-Ling FAN, Zi-Feng PI, Feng-Rui SONG, Shu LIU.  (2021)  A feasible processing-omics strategy for comprehensive evaluation of mechanisms of chemical transformation in processing Polygalae Radix.  CHINESE JOURNAL OF ANALYTICAL CHEMISTRY,      [PMID:] [10.1016/j.cjac.2021.10.009]
7. 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]
8. Haisha Yang, Yuqiong Dong, Huijing Du, Haiming Shi, Yunhua Peng, Xiaobo Li.  (2011)  Antioxidant Compounds from Propolis Collected in Anhui, China.  MOLECULES,  16  (4): (3444-3455).  [PMID:21512452] [10.3390/molecules16043444]
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