GRADE & PURITY 10mM in DMSO

Synonyms

2-Acetoxymethylfuran | 2-Furanmethyl acetate | Furfuryl alcohol, acetate | 2-Furylmethyl acetate # | AI3-11016 | NSC 5585 | 2-Furanmethanol, 2-acetate | 2-Furfuryl acetate | A0903 | Acetic acid furfuryl ester | Tox21_201590 | NCGC00257222-01 | TS-01820 |

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

2-Acetoxymethylfuran | 2-Furanmethyl acetate | Furfuryl alcohol, acetate | 2-Furylmethyl acetate # | AI3-11016 | NSC 5585 | 2-Furanmethanol, 2-acetate | 2-Furfuryl acetate | A0903 | Acetic acid furfuryl ester | Tox21_201590 | NCGC00257222-01 | TS-01820 |

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)OCC1=CC=CO1
• IUPAC Name: furan-2-ylmethyl acetate
• InChIKey: CKOYRRWBOKMNRG-UHFFFAOYSA-N
• INCHI: 1S/C7H8O3/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3
• Isomeric SMILES: CC(=O)OCC1=CC=CO1
• WGK Germany: 3
• RTECS: LU9120000
• Molecular Weight: 140.14
• Beilstein: 17(3/4)1246
• Reaxy-Rn: 116128
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=116128&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Heteroaromatic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Heteroaromatic compounds
• Alternative Parents: Furans Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Furan - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
• External Descriptors: Not available

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

Associated Targets(Human)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.4627
• Flash Point(°F): 150.8 °F
• Flash Point(°C): 66 °C
• Boil Point(°C): 175-177°C
• Molecular Weight: 140.140 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 140.047 Da
• Monoisotopic Mass: 140.047 Da
• Topological Polar Surface Area: 39.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 122.000
• 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. Zhikang Deng, Jinyao Zhu, Chenyu Zeng, Rui Mu, Yongfei Ma, Zulin Zhang.  (2024)  Highly efficient activation of ferrate (VI) via corncob biochar assisted by electrochemistry for the removal of sulfamethoxazole from water.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.149479]

2. Zhikang Deng, Yongfei Ma, Jinyao Zhu, Chenyu Zeng, Rui Mu, Yifan Liu, Ping Li, Zulin Zhang.  (2024)  Novel insights into ferrate (VI) activation by Mn-modified sludge biochar for sulfamethoxazole degradation: Dominance of hydroxyl group and Mn-O bond in the non-radical pathway.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2024.127679]

3. Han Yin, Yanqing Wang, Dazhi Zhang, Yue Hu, Xiaoqin Si, Xuhai Zhu, Rui Lu, Zhenggang Liu, Xiangtao Kong, Fang Lu.  (2024)  Sustainable Production of Pyromellitic Acid from Biomass-Derived Furanic Platform Chemicals.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.4c02631]

4. Shuge Yuan, Yahui Liu, Jinglin Yu, Ping Yang, Wei Yong, Zongxu Zhao, Tianyang Guo, Huanlu Song.  (2025)  Molecular sensory insights into odor activity and formation pathway of volatile compounds across roasting degrees in coffee beans.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2025.107712]