Isoeugenol - analytical standard, for environmental analysis , CAS No.97-54-1

CAS: 97-54-1 Cat. No.: I109576 Molecular Weight: 164.20 Beilstein Registry Number: 1909602 EC Number: 202-590-7
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GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. for Environmental analysis ? Environmental-analysis grade — low background for trace pollutants in water/soil/air. Use in environmental testing where contamination skews trace results.
Synonyms
BDBM50548724 | 2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol | FEMA No. 2468 | Iso eugenol | Isoeugenol, predominantly trans | NCGC00091470-03 | 4-Hydroxy-3-methoxypropenylbenzene | AKOS000120575 | Isoeugenol | Iso-eugenol | Phenol, 2-methoxy-4-(1-propenyl)-, (
Storage
Room temperature
Shipped In
Normal
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Price
Qty
1ml
I109576-1ml
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Why this grade

analytical standard, for environmental analysis Analytical standard,for Environmental analysis 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 21 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
BDBM50548724 | 2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol | FEMA No. 2468 | Iso eugenol | Isoeugenol, predominantly trans | NCGC00091470-03 | 4-Hydroxy-3-methoxypropenylbenzene | AKOS000120575 | Isoeugenol | Iso-eugenol | Phenol, 2-methoxy-4-(1-propenyl)-, (
Specifications & Purity
analytical standard, for environmental analysis
Storage
Room temperature
Shipped In
Normal
Grade
Analytical standard, for Environmental analysis
Names and Identifiers
Canonical SmilesCC=CC1=CC(=C(C=C1)O)OC
IUPAC Name2-methoxy-4-[(E)-prop-1-enyl]phenol
InChIKeyBJIOGJUNALELMI-ONEGZZNKSA-N
INCHI1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+
Isomeric SMILES C/C=C/C1=CC(=C(C=C1)O)OC
WGK Germany 3
RTECS SL7875000
Molecular Weight 164.20
Beilstein 1909602
Reaxy-Rn 1909602
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1909602&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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassPhenols
SubclassMethoxyphenols
Intermediate Tree Nodes Not available
Direct ParentMethoxyphenols
Alternative Parents Styrenes  Phenoxy compounds  Methoxybenzenes  Anisoles  Alkyl aryl ethers  1-hydroxy-2-unsubstituted benzenoids  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Methoxyphenol - Phenoxy compound - Methoxybenzene - Styrene - Phenol ether - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
External Descriptors isoeugenol
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TYR Tclin Tyrosinase (717 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DU-145 (51482 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HL-60 (67320 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HT-1080 (3966 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Raji (5516 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U-937 (7138 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KB (17409 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
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Aspergillus fumigatus (16427 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
3LL cell line (138 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
lef Anthrax lethal factor (7585 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trpa1 Transient receptor potential cation channel subfamily A member 1 (1003 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ddn Putative uncharacterized protein (49 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 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.

2 results found

Lot NumberCertificate TypeDateItem
D2523023Certificate of AnalysisApr 30, 2025 I109576
F2011037Certificate of AnalysisApr 25, 2022 I109576
Chemical and Physical Properties
Refractive Index1.5748
Flash Point(°F)233.6 °F
Flash Point(°C)134℃
Boil Point(°C)266°C
Melt Point(°C)13°C
Molecular Weight164.200 g/mol
XLogP32.600
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass164.084 Da
Monoisotopic Mass164.084 Da
Topological Polar Surface Area29.500 Ų
Heavy Atom Count12
Formal Charge0
Complexity154.000
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
Documents & Articles
Citations of This Product
References
1. Xing Zhang, Jingfeng Wu, Tian Li, Chengzhi Zhang, Lingjun Zhu, Shurong Wang.  (2021)  Selective hydrodeoxygenation of lignin-derived phenolics to cycloalkanes over highly stable NiAl2O4 spinel-supported bifunctional catalysts.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2021.132181]
2. Xin-Long Sha, Li Yuan, Guozheng Liang, Aijuan Gu.  (2020)  Heat-resistant and robust biobased benzoxazine resins developed with a green synthesis strategy.  Polymer Chemistry,  12  (3): (432-438).  [PMID:] [10.1039/D0PY01529F]
3. Jindong Wang, Wenzhi Li, Huizhen Wang, Ajibola Temitope Ogunbiyi, Xiaomeng Dou, Qiaozhi Ma.  (2020)  Effects of the novel catalyst Ni–S2O82−–K2O/TiO2 on efficient lignin depolymerization.  RSC Advances,  10  (14): (8558-8567).  [PMID:35497830] [10.1039/C9RA10675H]
4. Zhihui Feng, Ming Li, Yifan Li, Xiaochun Wan, Xiaogen Yang.  (2019)  Characterization of the orchid-like aroma contributors in selected premium tea leaves.  FOOD RESEARCH INTERNATIONAL,      [PMID:32036905] [10.1016/j.foodres.2019.108841]
5. Zhi-hao Tao, Chang Li, Xiao-fei Xu, Yuan-jiang Pan.  (2019)  Scavenging activity and mechanism study of ferulic acid against reactive carbonyl species acrolein.  Journal of Zhejiang University-SCIENCE B,      [PMID:31595723] [10.1631/jzus.B1900211]
6. Rui Wang, Xing Hu, Junhui Pan, Guowen Zhang, Deming Gong.  (2019)  Interaction of isoeugenol with calf thymus DNA and its protective effect on DNA oxidative damage.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2019.03.018]
7. Shi Qiu, Xuan Guo, Yong Huang, Yunming Fang, Tianwei Tan.  (2018)  Task-Specific Catalyst Development for Lignin-First Biorefinery toward Hemicellulose Retention or Feedstock Extension.  ChemSusChem,  12  (4): (944-954).  [PMID:30508279] [10.1002/cssc.201802130]
8. Yan-Chen Wang, Peng Li, De-Fu Chi.  (2017)  Electrophysiological and laboratory behavioral responses of a leaf beetle pest of elm, Ambrostoma quadriimpressum, to selected plant volatiles and essential oils.  ENTOMOLOGIA EXPERIMENTALIS ET APPLICATA,  163  (2): (140-149).  [PMID:] [10.1111/eea.12562]
9. Shuyao Huang, Jianqiao Xu, Jiayi Wu, Haojia Hong, Guosheng Chen, Ruifen Jiang, Fang Zhu, Yuan Liu, Gangfeng Ouyang.  (2017)  Rapid detection of five anesthetics in tilapias by in vivo solid phase microextraction coupling with gas chromatography-mass spectrometry.  TALANTA,      [PMID:28391852] [10.1016/j.talanta.2017.03.045]
10. Lujiang Xu, Qian Yao, Ying Zhang, Yao Fu.  (2017)  Integrated Production of Aromatic Amines and N-Doped Carbon from Lignin via ex Situ Catalytic Fast Pyrolysis in the Presence of Ammonia over Zeolites.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.6b02542]
11. Yan-chen Wang, Peng Li, De-fu Chi.  (2016)  Electrophysiological and behavioral responses of Tenebrio molitor L. to fourteen kinds of plant volatiles.  JOURNAL OF ASIA-PACIFIC ENTOMOLOGY,      [PMID:] [10.1016/j.aspen.2016.03.002]
12. Xin-Ping Ouyang, Yun Yang, Guo-Dian Zhu, Xue-Qing Qiu.  (2015)  Radical synthesis of tetrameric lignin model compound.  CHINESE CHEMICAL LETTERS,      [PMID:] [10.1016/j.cclet.2015.05.011]
13. Xiaopeng Shi, Haotong Lin, Qi Ouyang, guanqun luo, Xianghong Lu, Jianbing Ji, Kaige Wang.  (2025)  Biochemical to enable Biorefinery: A case study of polyphenols extraction from Bio-oil for Utilization as Biodiesel Antioxidants.  GREEN CHEMISTRY,      [PMID:] [10.1039/D5GC00184F]
14. Mo Guangquan, Huang Jiayin, Lin Yueting, Ouyang Yuehan, Hu Bingjie.  (2024)  Novel ZIFs nanostructures electro-engineered at carbon fiber for the highly sensitive and selective detection of isoeugenol.  MICROCHIMICA ACTA,  191  (8): (1-10).  [PMID:38970687] [10.1007/s00604-024-06532-9]
15. Ying Wu, Meng Guo, Jie Gao, Jian-Hui Li, Bo-Kun Chen.  (2024)  Sustainable design and synthesis of high-performance lignin-based sunscreen ingredients.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:39276887] [10.1016/j.ijbiomac.2024.135494]
16. Xia Zhang, Wenzhi Li, Yihang Jiang, Leyu Zhu, Liqun Wang.  (2024)  Valorization of waste lignin: Efficient and steady production of liquid fuels.  INDUSTRIAL CROPS AND PRODUCTS,      [PMID:] [10.1016/j.indcrop.2024.119400]
17. Xinjun He, Mengqiao Gao, Fukun Li, Zhiyang Tang, Jie Qu, Jinxing Long, Qiang Zeng, Xuehui Li.  (2025)  Catalytic hydrogenolysis of lignin under syngas: the enhancement on the Cβ-O bond cleavage with CO.  GREEN CHEMISTRY,      [PMID:] [10.1039/D5GC01618E]
18. Changyue Deng, Tao Sheng, Hui Zhu, Yujie Wu, Sanxu Shi, Yibin Zhou.  (2025)  Large-ring cyclodextrins for efficient encapsulation of diverse aroma molecules: Exploring mechanism of inclusion complex formation and stabilization.  FOOD CHEMISTRY,      [PMID:40974646] [10.1016/j.foodchem.2025.146441]
19. Xing Shen, Yang Chen, Xiuxiu Liu, Xuejiao Qie, Zhongping Chai, Maomao Zeng.  (2024)  Effects and mechanisms of using “clean” smoke particles in the smoking process on the formation of β-carboline heterocyclic amines (β-CHAs) in smoked meat patties.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:38870859] [10.1016/j.jhazmat.2024.134843]
20. Wenyu Wang, Yaru Liu, Xiang Shao, Yuhao Zheng, Benyong Zhu, Jun Tang, Qiuhong Pan, Qingping Ke.  (2025)  Lanthanide-based perovskites: Photothermal catalysts for highly yield synthesis of licarin a from oxidative homo-coupling of biomass-derived isoeugenol.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2025.115689]
21. Yao Wang, Junhua Qiu, Chengwei Wang, Ruiyu Yang, Fuyou Guo, Tian Li, Shili Li, Lei Yang, Wei Ding.  (2026)  Sustainable Strategy of Natural trans-Anethole in Controlling Bacterial Wilt: Virulence Suppression and Beneficial Microbiome Enrichment.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:41568748] [10.1021/acs.jafc.5c13627]
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