Eugenyl acetate - 10mM in DMSO , CAS No.93-28-7

CAS: 93-28-7 Cat. No.: E426980 Molecular Weight: 206.24 Beilstein Registry Number: 6(3)5029 EC Number: 202-235-6

GRADE & PURITY 10mM in DMSO

Synonyms

2-Methoxy-4-(prop-2-enyl)phenyl Acetate (Acetyleugenol) | 2-Methoxy-4-(2-propenyl)phenyl acetate | CHEBI:34522 | EINECS 202-235-6 | Eugenyl acetate, >=98%, FCC, FG | V9OSB376X8 | 3-06-00-05029 (Beilstein Handbook Reference) | Acetic acid 4-allyl-2-methoxy

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

2-Methoxy-4-(prop-2-enyl)phenyl Acetate (Acetyleugenol) | 2-Methoxy-4-(2-propenyl)phenyl acetate | CHEBI:34522 | EINECS 202-235-6 | Eugenyl acetate, >=98%, FCC, FG | V9OSB376X8 | 3-06-00-05029 (Beilstein Handbook Reference) | Acetic acid 4-allyl-2-methoxy

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CC(=O)OC1=C(C=C(C=C1)CC=C)OC
• IUPAC Name: (2-methoxy-4-prop-2-enylphenyl) acetate
• InChIKey: SCCDQYPEOIRVGX-UHFFFAOYSA-N
• INCHI: 1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4,6-8H,1,5H2,2-3H3
• Isomeric SMILES: CC(=O)OC1=C(C=C(C=C1)CC=C)OC
• WGK Germany: 2
• RTECS: SJ4550000
• Molecular Weight: 206.24
• Beilstein: 6(3)5029
• Reaxy-Rn: 1964745
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1964745&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol esters
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol esters
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenol ester - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Carboxylic acid ester - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
• External Descriptors: phenols - benzoate ester

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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Freezing Point(°C): 26 °C
• Refractive Index: 1.518
• Flash Point(°F): 287.6 °F - closed cup
• Flash Point(°C): 142 °C - closed cup
• Boil Point(°C): 281-286°C
• Melt Point(°C): 26°C
• Molecular Weight: 206.240 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 206.094 Da
• Monoisotopic Mass: 206.094 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 225.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Zujin Yang, Guifang Wu, Cui Gan, Guangmei Cai, Jianyong Zhang, Hongbing Ji.  (2021)  Effective adsorption of arsenate, dyes and eugenol from aqueous solutions by cationic supramolecular gel materials.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2021.126238]

2. Tian Bao-liang, Liu Qi-Zhi, Liu Zhi-Long, Li Peng, Wang Jie-Wen.  (2015)  Insecticidal Potential of Clove Essential Oil and Its Constituents on Cacopsylla chinensis (Hemiptera: Psyllidae) in Laboratory and Field.  JOURNAL OF ECONOMIC ENTOMOLOGY,  108  (3): (957-961).  [PMID:26470216] [10.1093/jee/tov075]

3. Liqiu Chen, Ran Zhang, Jing Xiao, Ying Liang, Zhen Lan, Yingao Fan, Xi Yu, Shengnan Xia, Haiyan Yang, Xinyu Bao, Hailan Meng, Yun Xu, Linjie Yu, Xiaolei Zhu.  (2025)  Neuroprotective Effects of Eugenol Acetate Against Ischemic Stroke.  Journal of Inflammation Research,      [PMID:39802508] [10.2147/JIR.S487482]