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CAS No.: | 637-64-9 |
---|---|
Name: | TETRAHYDROFURFURYL ACETATE |
Article Data: | 28 |
Molecular Structure: | |
Formula: | C7H12O3 |
Molecular Weight: | 144.17 |
Synonyms: | 2-Furanmethanol,tetrahydro-, acetate (9CI);Furfuryl alcohol, tetrahydro-, acetate(6CI,7CI,8CI);2-(Acetoxymethyl)oxolane;2-(Acetoxymethyl)tetrahydrofuran;NSC4872;Tetrahydrofurfuryl acetate; |
EINECS: | 211-296-8 |
Density: | 1.061 g/mL at 25 °C(lit.) |
Boiling Point: | 194-195 °C753 mm Hg(lit.) |
Flash Point: | 184 °F |
Solubility: | Soluble in water, ether, chloroform |
PSA: | 35.53000 |
LogP: | 0.72850 |
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; |
ethyl acetate
2-Methoxymethoxymethyl-tetrahydro-furan
tetrahydrofurfuryl acetate
Conditions | Yield |
---|---|
With indium (III) iodide for 16h; Heating; | 85% |
tetrahydrofurfuryl tetrahydropyranyl ether
acetyl chloride
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% |
n-Pent-4-enyl alcohol
thallium(III) triacetate
A
tetrahydro-2H-pyran-3-yl acetic acid
B
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 |
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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%.
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