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2-Furanacrolein

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Name

2-Furanacrolein

EINECS 210-785-3
CAS No. 623-30-3 Density 1.104 g/cm3
PSA 30.21000 LogP 1.49170
Solubility insoluble in water Melting Point 49-55 ºC
Formula C7H6O2 Boiling Point 241.9 °C at 760 mmHg
Molecular Weight 122.123 Flash Point 88.8 °C
Transport Information UN 1759 Appearance Colorless to light yellow liquid
Safety Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors. Risk Codes R34   
Molecular Structure Molecular Structure of 623-30-3 (2-Furanacrolein) Hazard Symbols
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;

Article Data 38

2-Furanacrolein Synthetic route

98-01-1

furfural

121-44-8

triethylamine

623-30-3

3-furan-2-yl-propenal

Conditions
ConditionsYield
With chloro-trimethyl-silane; scandium tris(trifluoromethanesulfonate) In dichloromethane at 0 - 20℃; for 24h; Sealed tube; Inert atmosphere;93%

C19H30O2S

623-30-3

3-furan-2-yl-propenal

Conditions
ConditionsYield
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
ConditionsYield
With p-benzoquinone In diethylene glycol dimethyl ether at 120℃; for 19h;65%

3-(2-furyl)acrylic acid p-tosylhydrazide

623-30-3

3-furan-2-yl-propenal

Conditions
ConditionsYield
With sodium carbonate In ethylene glycol at 160℃; for 0.0166667h;60%
98-01-1

furfural

64-17-5

ethanol

A

623-30-3

3-furan-2-yl-propenal

B

614-99-3

Ethyl 2-furoate

Conditions
ConditionsYield
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;
98-01-1

furfural

64-17-5

ethanol

A

623-30-3

3-furan-2-yl-propenal

B

611-13-2

2-furoic acid methyl ester

Conditions
ConditionsYield
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.
98-01-1

furfural

75-07-0

acetaldehyde

furan-2,3,5(4H)-trione pyridine (1:1)

623-30-3

3-furan-2-yl-propenal

Conditions
ConditionsYield
at 0℃;
98-01-1

furfural

75-07-0

acetaldehyde

623-30-3

3-furan-2-yl-propenal

Conditions
ConditionsYield
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
ConditionsYield
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

2-Furanacrolein Chemical Properties

Molecular Structure of 2-Furanacrolein (CAS NO.623-30-3):

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 cm
Molar Volume: 110.5 cm
Surface Tension: 37.2 dyne/cm 
Density: 1.104 g/cm
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

2-Furanacrolein 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.

2-Furanacrolein Consensus Reports

Reported in EPA TSCA Inventory.

2-Furanacrolein 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: CorrosiveC
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 

2-Furanacrolein 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 .

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