Tetrahydrofurfuryl Acetate - ≥97%(GC) , CAS No.637-64-9

CAS: 637-64-9 Cat. No.: T161761 Molecular Weight: 144.17 Beilstein Registry Number: 17(3/4)1103 EC Number: 211-296-8 PubChem CID: 12506

GRADE & PURITY ≥97%(GC)

Synonyms

2-Acetoxymethyloxolane | Tetrahydro-2-furanmethyl acetate | UNII-I1PIW4REZU | 2-(ACETOXYMETHYL)OXOLANE | AI3-21209 | TETRAHYDROFURFURYL ACETATE | AS-62668 | Furfuryl alcohol, tetrahydro-, acetate (8CI) | oxolan-2-ylmethyl acetate | Tetrahydro-2-furanylmet

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

2-Acetoxymethyloxolane | Tetrahydro-2-furanmethyl acetate | UNII-I1PIW4REZU | 2-(ACETOXYMETHYL)OXOLANE | AI3-21209 | TETRAHYDROFURFURYL ACETATE | AS-62668 | Furfuryl alcohol, tetrahydro-, acetate (8CI) | oxolan-2-ylmethyl acetate | Tetrahydro-2-furanylmet

Specifications & Purity

≥97%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 488181683
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181683
• Canonical Smiles: CC(=O)OCC1CCCO1
• IUPAC Name: oxolan-2-ylmethyl acetate
• InChIKey: AAQDYYFAFXGBFZ-UHFFFAOYSA-N
• INCHI: 1S/C7H12O3/c1-6(8)10-5-7-3-2-4-9-7/h7H,2-5H2,1H3
• Isomeric SMILES: CC(=O)OCC1CCCO1
• WGK Germany: 3
• PubChem CID: 12506
• Molecular Weight: 144.17
• Beilstein: 17(3/4)1103
• Reaxy-Rn: 80932

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Tetrahydrofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Tetrahydrofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrahydrofurans
• Alternative Parents: Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Tetrahydrofuran - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Refractive Index: 1.43
• Flash Point(°F): 183.2 °F
• Flash Point(°C): 84°C(lit.)
• Boil Point(°C): 195 °C
• Molecular Weight: 144.170 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 144.079 Da
• Monoisotopic Mass: 144.079 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 122.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1