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Cas Database |
| Name |
Tetrahydrofurfuryl acetate |
EINECS | 211-296-8 |
| CAS No. | 637-64-9 | Density | 1.061 g/mL at 25 °C(lit.) |
| PSA | 35.53000 | LogP | 0.72850 |
| Solubility | Soluble in water, ether, chloroform | Melting Point |
N/A |
| Formula | C7H12O3 | Boiling Point | 194-195 °C753 mm Hg(lit.) |
| Molecular Weight | 144.17 | Flash Point | 184 °F |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Furanmethanol,tetrahydro-, acetate (9CI);Furfuryl alcohol, tetrahydro-, acetate(6CI,7CI,8CI);2-(Acetoxymethyl)oxolane;2-(Acetoxymethyl)tetrahydrofuran;NSC4872;Tetrahydrofurfuryl acetate; |
Article Data | 28 |
Tetrahydrofurfuryl acetate Synthetic route
| Conditions | Yield |
|---|---|
| With phosphoric acid In acetonitrile at 50℃; for 3h; | 99% |
| With zirconium sulfophenyl phosphonate In dichloromethane at 20℃; for 3h; Acetylation; | 97% |
| With aluminum triflate at 20℃; for 0.00555556h; | 96% |
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; potassium iodide at 20℃; for 4h; | 87% |
| Conditions | Yield |
|---|---|
| With pyridine In chloroform for 2h; Ambient temperature; | 86% |
| durch Veresterung; |
| Conditions | Yield |
|---|---|
| With iron(III) chloride at 20℃; for 9h; Esterification; | 85% |
| With sulfuric acid durch Veresterung; | |
| With hydrogenchloride durch Veresterung; | |
| With molecular sieve at 120℃; for 8h; |
- 141-78-6
ethyl acetate
- 161617-56-7
2-Methoxymethoxymethyl-tetrahydro-furan
- 637-64-9
tetrahydrofurfuryl acetate
| Conditions | Yield |
|---|---|
| With indium (III) iodide for 16h; Heating; | 85% |
- 710-14-5
tetrahydrofurfuryl tetrahydropyranyl ether
- 75-36-5
acetyl chloride
- 637-64-9
tetrahydrofurfuryl acetate
| Conditions | Yield |
|---|---|
| With sodium iodide In acetonitrile for 6h; Ambient temperature; | 84% |
| Conditions | Yield |
|---|---|
| In benzene Ambient temperature; | 83% |
| In benzene Mechanism; Heating; intramolecular cyclization of other unsaturated alcohols; | 83% |
| Conditions | Yield |
|---|---|
| With cerium(IV) oxide at 155℃; for 36h; Inert atmosphere; Sealed tube; | 82% |
- 821-09-0
n-Pent-4-enyl alcohol
- 2570-63-0
thallium(III) triacetate
A
- 3265-65-4
tetrahydro-2H-pyran-3-yl acetic acid
B
- 637-64-9
tetrahydrofurfuryl acetate
| Conditions | Yield |
|---|---|
| In acetic acid at 60℃; for 0.333333h; | A 32% B 30% |
| In acetic acid at 60℃; for 0.333333h; Mechanism; intramolecular cyclization of other unsaturated alcohols; | A 32% B 30% |
| Conditions | Yield |
|---|---|
| With acetic acid; benzene |
Tetrahydrofurfuryl acetate Specification
The 2-Furanmethanol,tetrahydro-, 2-acetate, with the CAS registry number 637-64-9, is also known as 2-(Acetoxymethyl)tetrahydrofuran. It belongs to the product category of Ester Flavor. Its EINECS registry number is 211-296-8. This chemical's molecular formula is C7H12O3 and molecular weight is 144.16838. Its IUPAC name is called oxolan-2-ylmethyl acetate. The product should be sealed and stored in cool and dry place. What's more, it should be protected from strong oxides.
Physical properties of 2-Furanmethanol,tetrahydro-, 2-acetate: (1)ACD/LogP: 0.16; (2)ACD/LogD (pH 5.5): 0.16; (3)ACD/LogD (pH 7.4): 0.16; (4)#H bond acceptors: 3; (5)#Freely Rotating Bonds: 3; (6)Index of Refraction: 1.434; (7)Molar Refractivity: 35.78 cm3; (8)Molar Volume: 137.3 cm3; (9)Surface Tension: 34.7 dyne/cm; (10)Density: 1.049 g/cm3; (11)Flash Point: 84.4 °C; (12)Enthalpy of Vaporization: 44.17 kJ/mol; (13)Boiling Point: 205.5 °C at 760 mmHg; (14)Vapour Pressure: 0.249 mmHg at 25°C.
Preparation: this chemical can be prepared by Tetrahydrofurfuryl alcohol and acetic anhydride. This reaction will need inorganic acid.
Uses of 2-Furanmethanol,tetrahydro-, 2-acetate: it can be used to produce Essigsaeure-2,5-dibrom-pentyl-ester by heating. This reaction will need reagent bromotrimethylsilane with reaction time of 48 hours. The yield is about 87%.
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You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)OCC1CCCO1
(2)InChI: InChI=1S/C7H12O3/c1-6(8)10-5-7-3-2-4-9-7/h7H,2-5H2,1H3
(3)InChIKey: AAQDYYFAFXGBFZ-UHFFFAOYSA-N
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