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Isoeugenol - analytical standard，for environmental analysis, high purity , CAS No.97-54-1
Basic Description
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
Shipped In
Normal
Grade
analytical standard, for environmental analysis
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Methoxyphenols
Intermediate Tree Nodes
Not available
Direct Parent
Methoxyphenols
Alternative Parents
Styrenes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
Molecular Framework
Aromatic 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
Description
This 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
Data sources
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2-methoxy-4-[(E)-prop-1-enyl]phenol
INCHI
InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+
InChIKey
BJIOGJUNALELMI-ONEGZZNKSA-N
Smiles
CC=CC1=CC(=C(C=C1)O)OC
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=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.5748
Flash Point(°F)
233.6 °F
Flash Point(°C)
134℃
Boil Point(°C)
266°C
Melt Point(°C)
13°C
Molecular Weight
164.200 g/mol
XLogP3
2.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
164.084 Da
Monoisotopic Mass
164.084 Da
Topological Polar Surface Area
29.500 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
154.000
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
1.
Xing Zhang, Jingfeng Wu, Tian Li, Chengzhi Zhang, Lingjun Zhu, Shurong Wang.
(2022)
Selective hydrodeoxygenation of lignin-derived phenolics to cycloalkanes over highly stable NiAl2O4 spinel-supported bifunctional catalysts. CHEMICAL ENGINEERING JOURNAL,
429
(132181).
2.
Xin-Long Sha, Li Yuan, Guozheng Liang, Aijuan Gu.
(2021)
Heat-resistant and robust biobased benzoxazine resins developed with a green synthesis strategy. Polymer Chemistry,
12
(3):
(432-438).
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).
4.
Zhihui Feng, Ming Li, Yifan Li, Xiaochun Wan, Xiaogen Yang.
(2020)
Characterization of the orchid-like aroma contributors in selected premium tea leaves. FOOD RESEARCH INTERNATIONAL,
129
(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,
20
(11):
( 868–876).
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,
282
(356).
7.
Shi Qiu, Xuan Guo, Yong Huang, Yunming Fang, Tianwei Tan.
(2019)
Task-Specific Catalyst Development for Lignin-First Biorefinery toward Hemicellulose Retention or Feedstock Extension. ChemSusChem,
12
(4):
(944-954).
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).
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,
168
(263).
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,
5
(4):
(2960–2969).
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,
19
(261).
12.
Xin-Ping Ouyang, Yun Yang, Guo-Dian Zhu, Xue-Qing Qiu.
(2015)
Radical synthesis of tetrameric lignin model compound. CHINESE CHEMICAL LETTERS,
26
(980).
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,
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).
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,
280
(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,
220
(119400).
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16 Citations
D2523023