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| CAS No.: | 623-15-4 |
|---|---|
| Name: | 4-(2-FURYL)-3-BUTEN-2-ONE |
| Article Data: | 138 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H8 O2 |
| Molecular Weight: | 136.15 |
| Synonyms: | 3-Buten-2-one,4-(2-furyl)- (6CI,8CI); 1-(2-Furyl)but-1-en-3-one; 2-(3-Oxo-1-butenyl)furan;2-Furfurylideneacetone; 4-(2-Furanyl)-3-buten-2-one; 4-(2-Furyl)-3-buten-2-one;4-(2-Furyl)-3-butene-2-one; Furfuralacetone; Furfurylidenacetone;Furfurylideneacetone; Monofurfurylideneacetone; NSC 2065; NSC 6104; NSC 643044 |
| EINECS: | 210-774-3 |
| Density: | 1.073g/cm3 |
| Melting Point: |
34-41 °C(lit.) |
| Boiling Point: | 112-115°C 10mm |
| Flash Point: | 220 °F |
| Solubility: | Toxicity data (The meaning of any toxicologica"> slight
Stability
Toxicology
Toxicity data |
| Appearance: | reddish crystalline powder |
| Hazard Symbols: | Xi,Xn |
| Risk Codes: | 36/37/38-22 |
| Safety: | A poison by an unspecified route. When heated to decomposition it emits acrid smoke and irritating vapors. |
| PSA: | 30.21000 |
| LogP: | 1.88180 |
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Chemistry
Molecular Structure of Furfuryl acetone (CAS NO.623-15-4):
EINECS: 210-774-3
IUPAC Name: (E)-4-(Furan-2-yl)but-3-en-2-one
Molecular Formula: C8H8O2
Molecular Weight: 136.147920 g/mol
XLogP3: 1.4
H-Bond Donor: 0
H-Bond Acceptor: 2
Canonical SMILES: CC(=O)C=CC1=CC=CO1
Isomeric SMILES: CC(=O)/C=C/C1=CC=CO1
InChI: InChI=1S/C8H8O2/c1-7(9)4-5-8-3-2-6-10-8/h2-6H,1H3/b5-4+
InChIKey: GBKGJMYPQZODMI-SNAWJCMRSA-N
Index of Refraction: 1.528
Molar Refractivity: 39.1 cm3
Molar Volume: 126.8 cm3
Surface Tension: 35.2 dyne/cm
Density: 1.073 g/cm3
Flash Point: 96.8 °C
Enthalpy of Vaporization: 46.37 kJ/mol
Boiling Point: 227.2 °C at 760 mmHg
Vapour Pressure: 0.0786 mmHg at 25 °C
Melting Point: 34-41 °C(lit.)
Water Solubility: 6109 mg/L at 25 °C
Refractive Index: n20/D 1.565(lit.)
Sensitive: Light
BRN: 109696
Toxicity Data With Reference
| 1. | unr-rat LD50:321 mg/kg | GISAAA Gigiena i Sanitariya. 52 (8)(1987),87. | ||
| 2. | unr-mus LD50:216 mg/kg | GISAAA Gigiena i Sanitariya. 52 (8)(1987),87. | ||
| 3. | unr-rbt LD50:158 mg/kg | GISAAA Gigiena i Sanitariya. 52 (8)(1987),87. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Safety Information of Furfuryl acetone (CAS NO.623-15-4):
Hazard Codes: Xi 
Hazard Note: Irritant
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements: 37/39-26
S37/39:Wear suitable gloves and eye/face protection
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
WGK Germany: 3
RTECS: EM9939000
A poison by an unspecified route. When heated to decomposition it emits acrid smoke and irritating vapors.
Specification
Furfuryl acetone with CAS Registry Number of 623-15-4 is orange to brown clear liquid. It is incompatible with strong oxidizing agents. When heated to decomposition, it yields Carbon monoxide , Carbon dioxide . Furfuryl acetone is also known as Monofurfurylideneacetone ; 2-Furfurylideneacetone ; 3-Buten-2-one, 4-(2-furanyl)- ; 3-Buten-2-one, 4-(2-furyl)- ; 3-Butene-2-one, 4-(2-furanyl)- ; 3-Buten-2-one, 4-(2-furyl)- (6CI,8CI) ; 4-(2-Furanyl)-3-buten-2-one ; 4-(2-Furyl)-3-buten-2-one ; 4-(2-Furyl)but-3-en-2-one ; AI3-05777 ; CCRIS 6241 ; FAM (monomer) ; FEMA No. 2495 ; Furfural acetone ; Furfuralacetone ; Furfurylideneacetone ; Monofurfurylideneacetone ; Monomer FAM .