3-Furancarboxaldehyde
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3-Furancarboxaldehyde
structure -
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CAS No:
498-60-2
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Formula:
C5H4O2
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Chemical Name:
3-Furancarboxaldehyde
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Synonyms:
3-Furancarboxaldehyde;3-Furaldehyde;3-Formylfuran;3-Furanaldehyde;3-Furfural;3-Furfuraldehyde;3-Furylcarboxaldehyde;3-Furylaldehyde;3-Furancarbaldehyde;1428758-12-6
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CAS No:
Description
Colorless to light yellow liqui
3-Furaldehyde is a volatile compound of honey of various floral origin.
3-furaldehyde is an aldehyde that is furan substituted by a formyl group at position 3. It has a role as a metabolite. It is a member of furans and an aldehyde. It derives from a hydride of a furan.
Characteristics
30.21000
0.51
Colorless to light yellow liquid
1.4945 g/cm3 @ Temp: 20 °C
148-149.5 °C
145 °C
48.3±0.0 °C
1.515
Soluble in water, benzene, chloroform, alcohol and ether.
2-8ºC
4.88mmHg at 25°C
4.85e-11 cm3/molecule*sec
Safety Information
III
3
UN 1989 3/PG 3
3
R10;R36/37/38
S26-S36-S45-S36/37-S16
Xi:Irritant;
P261-P305 + P351 + P338
H226-H315-H319-H335
UN 1989
P261; P305 + P351 + P338
|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P284, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P320, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Furancarboxaldehyde Use and Manufacturing
3-Furaldehyde is a volatile compound of honey of various floral origin.
Analysis Methods
| Name | Column Shape | Active Phase(℃) | Retention index | Temperature Control | Method | Comments | Reference |
|---|---|---|---|---|---|---|---|
| Kovats' RI, non-polar column, isothermal | Capillary | SE-30 | 804. | 100. | isothermal | 60. m/0.25 mm/0.50 μm, He | Golovnya, R.V.Misharina, T.A.Beletskiy, I.V.Influence of methyl, formyl and acetyl groups on retention of substituted furans and thiophenes in capillary GCChromatographia1992, 34, 9/10, 497-501. |
| Kovats' RI, non-polar column, isothermal | Capillary | OV-101 | 806. | 100. | isothermal | 60. m/0.25 mm/0.50 μm, He | Golovnya, R.V.Misharina, T.A.Beletskiy, I.V.Influence of methyl, formyl and acetyl groups on retention of substituted furans and thiophenes in capillary GCChromatographia1992, 34, 9/10, 497-501. |
| Kovats' RI, non-polar column, isothermal | Capillary | Carbowax 40M | 1458. | 100. | isothermal | 50. m/0.32 mm/0.25 μm, He | Golovnya, R.V.Misharina, T.A.Beletskiy, I.V.Influence of methyl, formyl and acetyl groups on retention of substituted furans and thiophenes in capillary GCChromatographia1992, 34, 9/10, 497-501. |
| Kovats' RI, non-polar column, isothermal | Capillary | SPB-5 | 815. | temperature ramp | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min | Píno, J.A.Marbot, R.Vázquez, C.Volatile components of the fruits of Vangueria madagascariensis J. F. Gmel. from CubaJ. Essent. Oil Res.2004, 16, 4, 302-304. | |
| Kovats' RI, non-polar column, isothermal | Capillary | DB-5 | 831.7 | temperature ramp | 30. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C | Xu, X.van Stee, L.L.P.Williams, J.Beens, J.Adahchour, M.Vreuls, R.J.J.Brinkman, U.A.Th.Lelieveld, J.Comprehensive two-dimensional gas chromatography (GC×GC) measurements of volatile organic compounds in the atmosphereAtmos. Chem. Phys.2003, 3, 3, 665-682. |
Computed Properties
Molecular Weight:96.08
XLogP3:0.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:96.021129366
Monoisotopic Mass:96.021129366
Topological Polar Surface Area:30.2
Heavy Atom Count:7
Complexity:70.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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