Paeonol - analytical standard , CAS No.552-41-0

CAS: 552-41-0 Cat. No.: H111082 Peso molecular: 166.17 Beilstein Registry Number: 8267 Número EC: 209-012-2
Disponible para pedir
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
1-(2-hydroxy-4-methoxyphenyl)ethane-1-one | AC-7982 | AM20040702 | HMS3656E07 | PAEONOL [WHO-DD] | SW219250-1 | Z57101020 | Q7124105 | RESACETOPHENONE 4-O-METHYL ETHER | NCGC00095977-03 | CCG-39471 | FT-0618875 | PAEONOL | 4-08-00-01793 (Beilstein Handboo
Storage
Room temperature
Shipped In
Normal
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Size
Estado
Price
Qty
20mg
H111082-20mg
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Why this grade

analytical standard Analytical standard 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 18 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

Paeonol is an active ingredient isolated from Paeonia suffruticosa Andr. Its pharmacologic functions include antiaggregatory, anti-inflammatory and anti-ischemia reperfusion damage and anti-lipid peroxidation effects.
An anti-inflammatory & anti-lipid peroxidation agent

Specifications

Sinónimos
1-(2-hydroxy-4-methoxyphenyl)ethane-1-one | AC-7982 | AM20040702 | HMS3656E07 | PAEONOL [WHO-DD] | SW219250-1 | Z57101020 | Q7124105 | RESACETOPHENONE 4-O-METHYL ETHER | NCGC00095977-03 | CCG-39471 | FT-0618875 | PAEONOL | 4-08-00-01793 (Beilstein Handboo
Especificaciones y pureza
analytical standard
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Grado
Analytical standard
Nombres e identificadores
Sonrisas canónicasCC(=O)C1=C(C=C(C=C1)OC)O
IUPAC Name1-(2-hydroxy-4-methoxyphenyl)ethanone
InChIKeyUILPJVPSNHJFIK-UHFFFAOYSA-N
INCHI1S/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H3
Isómeros SMILES CC(=O)C1=C(C=C(C=C1)OC)O
WGK Alemania 3
RTECS RT1215000
Peso molecular 166.17
Beilstein 8267
Reaxy-Rn 1282794
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1282794&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
SuperclassOrganic oxygen compounds
ClaseOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones
Direct ParentAlkyl-phenylketones
Alternative Parents Methoxyphenols  Acetophenones  Phenoxy compounds  Methoxybenzenes  Benzoyl derivatives  Aryl alkyl ketones  Anisoles  Alkyl aryl ethers  1-hydroxy-4-unsubstituted benzenoids  1-hydroxy-2-unsubstituted benzenoids  Vinylogous acids  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Alkyl-phenylketone - Methoxyphenol - Acetophenone - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Aryl alkyl ketone - Methoxybenzene - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Ether - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors phenols - methoxybenzene
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
TYR Tclin Tyrosinase (717 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CACNA1C Tclin Voltage-gated L-type calcium channel alpha-1C subunit (766 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AKR1B1 Tclin Aldose reductase (1404 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
M14 (47487 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Mapk1 MAP kinase ERK2 (650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
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 NumberCertificate TypeFechaArticulo
D2527250Certificate of AnalysisJul 01, 2025 H111082
E1802030Certificate of AnalysisSep 13, 2023 H111082
G2027075Certificate of AnalysisMay 09, 2022 H111082
D1619066Certificate of AnalysisFeb 17, 2022 H111082
Propiedades químicas y físicas
SolubilidadSoluble in water (<1 mg/ml at 25 °C), methanol, DMSO (33 mg/ml at 25 °C), and ethanol (33 mg/ml at 25 °C).
Índice de refracción1.54
Punto de inflamación (°F)235.4 °F
Punto de inflamación (°C)113 °C
Punto de ebullición (°C)154°C/20mmHg
Punto de fusión (°C)47-50°C
Peso molecular166.170 g/mol
XLogP32.000
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass166.063 Da
Monoisotopic Mass166.063 Da
Topological Polar Surface Area46.500 Ų
Heavy Atom Count12
Formal Charge0
Complexity167.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Preguntas frecuentes y artículos
Citations of This Product
Referencias
1. Chen Chen, Xiao Yang, Xian-hui Shao, Yue Zhou, Xiao-bin Zhang, Yun-ping Lu, Meng-zhen Xing, Qing-chang Xia, Yuan-xiang Liu, Yu-ning Ma, Ting-ting Zheng, Lin-lin Zhang, Yu-xia Ma, Ji-guo Yang.  (2023)  Thermal-grinding supramolecular network loaded with paeonol for treatment of skin eczema.  CHEMICAL ENGINEERING SCIENCE,      [PMID:] [10.1016/j.ces.2023.119096]
2. Xin Li, Huimei Shi, Di Zhang, Bei Jing, Zhenni Chen, Yachun Zheng, Shiquan Chang, Li Gao, Guoping Zhao.  (2023)  Paeonol alleviates neuropathic pain by modulating microglial M1 and M2 polarization via the RhoA/p38MAPK signaling pathway.  CNS Neuroscience & Therapeutics,      [PMID:37032648] [10.1111/cns.14211]
3. Shuai Liu, Keming Zheng, Yilin Jiang, Susu Gai, Bohan Li, Dehai Li, Shuang Yang, Zhihua Lv.  (2023)  Biotransformation of Penindolone, an Influenza A Virus Inhibitor.  MOLECULES,  28  (3): (1479).  [PMID:36771146] [10.3390/molecules28031479]
4. Songjun Liu, Xinran Cao, Tao Zhang, Chenyang Zhang, Jiao Qu, Yang Sun, Wen Lv, Fan Qu.  (2022)  Paeonol ameliorates endometrial hyperplasia in mice via inhibiting PI3K/AKT pathway-related ferroptosis.  PHYTOMEDICINE,      [PMID:36610113] [10.1016/j.phymed.2022.154593]
5. Siying Wang, Lanlan Xie, Qilei Yang, Yuting Geng, Hedi Kang, Xiuhua Zhao.  (2022)  Extraction and purification of paeonol from Moutan Cortex by a combined method of steam distillation and antisolvent recrystallization to reduce energy consumption and carbon dioxide emissions.  CANADIAN JOURNAL OF CHEMICAL ENGINEERING,  101  (7): (3771-3785).  [PMID:] [10.1002/cjce.24732]
6. Yuling Wang, Zeyan Tang, Xueping Guo, Yuqi Zhao, Shujing Ren, Zhenhai Zhang, Huixia Lv.  (2022)  Hyaluronic acid-cyclodextrin encapsulating paeonol for treatment of atopic dermatitis.  INTERNATIONAL JOURNAL OF PHARMACEUTICS,      [PMID:35714817] [10.1016/j.ijpharm.2022.121916]
7. Zhiping Che, Xiaolong Guo, Yuanhao Li, Song Zhang, Lina Zhu, Jiaxuan He, Di Sun, Yihao Guo, Yibo Liu, Ruxue Wei, Xiaobo Huang, Shengming Liu, Genqiang Chen, Yuee Tian.  (2022)  Synthesis of paeonol ester derivatives and their insecticidal, nematicidal, and anti-oomycete activities.  PEST MANAGEMENT SCIENCE,  78  (8): (3442-3455).  [PMID:35567371] [10.1002/ps.6985]
8. Yipeng Gu, Kai Chen, Bingwen Xi, Jun Xie, Xuwen Bing.  (2022)  Paeonol increases the antioxidant and anti-inflammatory capacity of gibel carp (Carassius auratus gibelio) challenged with Aeromonas hydrophila.  FISH & SHELLFISH IMMUNOLOGY,      [PMID:35314333] [10.1016/j.fsi.2022.03.005]
9. Yue-E Tian, Di Sun, Xiao-Xiao Han, Jin-Ming Yang, Song Zhang, Nan-Nan Feng, Li-Na Zhu, Zhong-Yuan Xu, Zhi-Ping Che, Sheng-Ming Liu, Xiao-Min Lin, Jia Jiang, Gen-Qiang Chen.  (2021)  Synthesis, anti-oomycete activity, and SAR studies of paeonol derivatives.  JOURNAL OF ASIAN NATURAL PRODUCTS RESEARCH,      [PMID:32009450] [10.1080/10286020.2020.1718116]
10. Chunqing Niu, Xiang Li, Yiyu Wang, Xinyu Liu, Jian Shi, Xinyu Wang.  (2019)  Design and performance of a poly(vinyl alcohol)/silk fibroin enzymatically crosslinked semi-interpenetrating hydrogel for a potential hydrophobic drug delivery.  RSC Advances,  (70): (41074-41082).  [PMID:35540084] [10.1039/C9RA09344C]
11. Jingjing Yao, Yangxin Zhang, Qiming Hu, Decheng Zeng, Fang Hua, Wei Meng, Weiyun Wang, Guan-Hu Bao.  (2017)  Optimization of paeonol-loaded poly(butyl-2-cyanoacrylate) nanocapsules by central composite design with response surface methodology together with the antibacterial properties.  EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES,      [PMID:28189814] [10.1016/j.ejps.2017.01.028]
12. Jingjing Yao, Decheng Zeng, Yangxin Zhang, Dongdong Sun, Endong Yang, Haiping Liu, Feng Guo, Weiyun Wang.  (2016)  Effect of solvents on forming poly(butyl-2-cyanoacrylate) encapsulated paeonol nanocapsules.  JOURNAL OF BIOMATERIALS SCIENCE-POLYMER EDITION,      [PMID:27846779] [10.1080/09205063.2016.1262161]
13. Xie Xiaoyu, Pan Xiaoyan, Han Shengli, Wang Sicen.  (2015)  Development and characterization of magnetic molecularly imprinted polymers for the selective enrichment of endocrine disrupting chemicals in water and milk samples.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  407  (6): (1735-1744).  [PMID:25577356] [10.1007/s00216-014-8425-0]
14. Ping Mao, Xiao Wei, Mo Liqian, Xiao Xiaoyan, Song Shaolian, Tang Waijiao, Yang Xixiao.  (2014)  Paeonol Attenuates Advanced Oxidation Protein Product-Induced Oxidative Stress Injury in THP-1 Macrophages.  PHARMACOLOGY,      [PMID:25170865] [10.1159/000363577]
15. Xin Li, Zifeng Zhuang, Yuting Hao, Shaozi Lin, Junyan Gu, Shiquan Chang, Lin Lan, Guoping Zhao, Di Zhang.  (2025)  Paeonol Relieves Chronic Neuropathic Pain by Reducing Communication Between Schwann Cells and Macrophages in the Dorsal Root Ganglia After Injury.  INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES,  26  (9): (3964).  [PMID:40362205] [10.3390/ijms26093964]
16. Miao Li, Na Gao, Lei Xu, Peng Ge, Nan Jiang, Yuhong Shang.  (2025)  Integrative RNA-seq and LASSO-COX analysis reveal Paeonol’s key target gene in proliferation suppression and apoptosis-induced in cervical cancer.  Frontiers in Pharmacology,      [PMID:41126956] [10.3389/fphar.2025.1646473]
17. Xu Chen, Jianxing Liu, Yongrui Liang, Zihan Gong.  (2026)  Paeonol inhibits the progression of endometrial cancer by affecting TRIM26-mediated LDHA ubiquitination modification.  TISSUE & CELL,      [PMID:41691946] [10.1016/j.tice.2026.103359]
18. Liu-Jie Qi, Zhao-Qi Zhang, Zhong-Na Zhang, Jing-An Li, Shao-Kang Guan.  (2026)  Theoretical calculation-experimental collaborative design of integrated coating for degradation regulation and diagnosis-treatment of magnesium alloy for cerebrovascular stents.  Journal of Advanced Research,      [PMID:41713732] [10.1016/j.jare.2026.02.028]
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