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| CAS No.: | 623-30-3 |
|---|---|
| Name: | 2-Furanacrolein |
| Article Data: | 38 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H6O2 |
| Molecular Weight: | 122.123 |
| Synonyms: | 2-Furanacrolein(6CI,7CI,8CI);1-(2-Furanyl)-1-propen-3-al;2-(2-Formylvinyl)furan;3-(2-Furanyl)-2-propenal;3-(2-Furyl)-2-propenal;3-(2-Furyl)acrolein;3-(a-Furyl)propenal;NSC 2061;NSC26338;b-2-Furylacrolein; |
| EINECS: | 210-785-3 |
| Density: | 1.104 g/cm3 |
| Melting Point: | 49-55 ºC |
| Boiling Point: | 241.9 °C at 760 mmHg |
| Flash Point: | 88.8 °C |
| Solubility: | insoluble in water |
| Appearance: | Colorless to light yellow liquid |
| Hazard Symbols: |
|
| Risk Codes: | R34 |
| Safety: | Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors. |
| Transport Information: | UN 1759 |
| PSA: | 30.21000 |
| LogP: | 1.49170 |
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| Conditions | Yield |
|---|---|
| With chloro-trimethyl-silane; scandium tris(trifluoromethanesulfonate) In dichloromethane at 0 - 20℃; for 24h; Sealed tube; Inert atmosphere; | 93% |
- 623-30-3
3-furan-2-yl-propenal
| Conditions | Yield |
|---|---|
| With triethylsilane In tetrahydrofuran for 1h; Reagent/catalyst; Fukuyama Reduction; | 79% |
- 27393-97-1, 79380-02-2
(E)-3-(2-furanyl)-2-propen-1-ol
- 623-30-3
3-furan-2-yl-propenal
| Conditions | Yield |
|---|---|
| With p-benzoquinone In diethylene glycol dimethyl ether at 120℃; for 19h; | 65% |
- 623-30-3
3-furan-2-yl-propenal
| Conditions | Yield |
|---|---|
| With sodium carbonate In ethylene glycol at 160℃; for 0.0166667h; | 60% |
| Conditions | Yield |
|---|---|
| With oxygen; sodium carbonate at 100℃; under 4500.45 Torr; for 24h; Catalytic behavior; Autoclave; | A 36% B 17% |
| With oxygen; potassium carbonate at 140℃; under 2250.23 Torr; for 4h; Reagent/catalyst; Autoclave; | |
| With oxygen; potassium carbonate at 140℃; under 2250.23 Torr; for 4h; Autoclave; Sealed tube; |
| Conditions | Yield |
|---|---|
| With oxygen; potassium carbonate at 140℃; under 2250.23 Torr; for 4h; Reagent/catalyst; | A 21% B n/a |
| With oxygen at 140℃; under 2250.23 Torr; for 4h; Reagent/catalyst; Autoclave; | A 61.6 %Chromat. B 37 %Chromat. |
| Conditions | Yield |
|---|---|
| at 0℃; |
| Conditions | Yield |
|---|---|
| With sodium hydroxide; water at 40℃; | |
| With sodium hydroxide | |
| With sodium hydroxide In ethanol; water at 0 - 20℃; for 11h; | |
| Stage #1: furfural With sodium hydroxide In ethanol; water at 0℃; for 0.166667h; Stage #2: acetaldehyde In ethanol; water at 0 - 20℃; for 11h; |
- 98-01-1
furfural
- 75-07-0
acetaldehyde
A
- 623-30-3
3-furan-2-yl-propenal
B
- 5916-94-9
5-(furan-2-yl)-penta-2,4-dienal
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water at 40℃; for 0.0833333h; | A 10 g B 6.2 g |
| With sodium hydroxide at 20℃; |
- 91976-43-1
3-ethoxy-3-[2]furyl-propionaldehyde diethylacetal
- 127-09-3
sodium acetate
- 64-19-7
acetic acid
- 623-30-3
3-furan-2-yl-propenal
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Chemistry
Molecular Structure of 2-Furanacrolein (CAS NO.623-30-3):
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IUPAC Name: (E)-3-(Furan-2-yl)prop-2-enal
Molecular Formula: C7H6O2
Molecular Weight: 122.12
EINECS: 210-785-3
Melting Point: 49-55 °C(lit.)
Boiling Point: 241.9 °C at 760 mmHg
Flash Point: 88.8 °C
Index of Refraction: 1.539
Molar Refractivity: 34.62 cm3
Molar Volume: 110.5 cm3
Surface Tension: 37.2 dyne/cm
Density: 1.104 g/cm3
Enthalpy of Vaporization: 47.88 kJ/mol
Vapour Pressure: 0.0351 mmHg at 25 °C
Water Solubility: insoluble
Sensitive: Air Sensitive
Appearance: Colorless to light yellow liquid
Canonical SMILES: C1=COC(=C1)C=CC=O
Isomeric SMILES: C1=COC(=C1)/C=C/C=O
InChI: InChI=1S/C7H6O2/c8-5-1-3-7-4-2-6-9-7/h1-6H/b3-1+
InChIKey: VZIRCHXYMBFNFD-HNQUOIGGSA-N
Product Categories: Heterocycles; Furan & Benzofuran; aldehyde Flavor; Alphabetical Listings; E-F; Flavors and Fragrances
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | > 860mg/kg (860mg/kg) | Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 97, 1990. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
Safety Information of 2-Furanacrolein (CAS NO.623-30-3):
Hazard Codes: 
C
Risk Statements: 34
R34:Causes burns.
Safety Statements: 26-27-28-36/37/39-45-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S27:Take off immediately all contaminated clothing.
S28:After contact with skin, wash immediately with plenty of soap-suds.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S24/25:Avoid contact with skin and eyes.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 1759 8/PG 2
WGK Germany: 3
RTECS: LT8528500
HazardClass: 8
PackingGroup: III
Specification
2-Furanacrolein (CAS NO.623-30-3), its Synonyms are 2-Propenal, 3-(2-furanyl)- ; 3-(2-Furanyl)-2-propenal ; 3-(2-Furyl)-2-propen-1-al ; 3-(2-Furyl)acrolein ; 3-(alpha-Furyl)propenal ; beta-2-Furylacrolein ; Furyl acrolein .