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Furfuryl acetate

CAT: 0804-HY-W010321-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W010321-01Size:100 g
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Description
Furfuryl acetate can be used in the synthesis of 5-acetoxymethyl-2-vinylfuran and 5-hydroxymethyl-2-vinylfuran[1].
CAS Number
623-17-6
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
Drug Intermediate
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/furfuryl-acetate.html
Purity
97.0
Solubility
DMSO : ≥ 100 mg/mL
Smiles
CC(=O)OCC1=CC=CO1
Molecular Formula
C7H8O3
Molecular Weight
140.14
Precautions
H315, H319, H335
References & Citations
[1]Mehner A, et al. Synthesis of 5-acetoxymethyl- and 5-hydroxymethyl-2-vinyl-furan. Molecules. 2007 Mar 26;12 (3) :634-40.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Furfural acetate

Furfuryl acetate is a heteroarene.

CAS Number623-17-6
PubChem CID12170
IUPAC Namefuran-2-ylmethyl acetate
Molecular FormulaC7H8O3
Molecular Weight140.14
XLogP0.7
Topological Polar Surface Area39.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity122
SMILES
CC(=O)OCC1=CC=CO1
InChI
InChI=1S/C7H8O3/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3
InChIKey
CKOYRRWBOKMNRG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Furfural acetate
CAS: 623-17-6
CID: 12170
Formula: C7H8O3
MW: 140.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight140.14
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass140.047344113
Monoisotopic Mass140.047344113
Topological Polar Surface Area39.4 Ų
Heavy Atom Count10
Formal Charge0
Complexity122
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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