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| CAS No.: | 3777-69-3 |
|---|---|
| Name: | 2-Pentylfuran |
| Article Data: | 35 |
| Molecular Structure: | |
|
|
|
| Formula: | C9H14O |
| Molecular Weight: | 138.21 |
| Synonyms: | 2-Amylfuran;2-Pentylfuran;2-n-Pentylfuran;2-pentyl furan; |
| EINECS: | 223-234-7 |
| Density: | 0.894 g/cm3 |
| Boiling Point: | 169.7 °C at 760 mmHg |
| Flash Point: | 45.6 °C |
| Solubility: | Slightly soluble in water |
| Appearance: | Colorless to light yellow liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 10-22-41 |
| Safety: | Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors. |
| Transport Information: | UN 1993 |
| PSA: | 13.14000 |
| LogP: | 3.01230 |
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Chemistry
Molecular Structure of 2-Amylfuran (CAS NO.3777-69-3):
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IUPAC Name: 2-Pentylfuran
Molecular Formula: C9H14O
Molecular Weight: 138.21
XLogP3: 3.7
H-Bond Donor: 0
H-Bond Acceptor: 1
EINECS: 223-234-7
FEMA: 3317
Index of Refraction: 1.455
Molar Refractivity: 42 cm3
Molar Volume: 154.5 cm3
Surface Tension: 28.5 dyne/cm
Density: 0.894 g/cm3
Flash Point: 45.6 °C
Enthalpy of Vaporization: 38.94 kJ/mol
Boiling Point: 169.7 °C at 760 mmHg
Vapour Pressure: 2.02 mmHg at 25 °C
Appearance: Colorless to light yellow liquid
Canonical SMILES: CCCCCC1=CC=CO1
InChI: InChI=1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3
InChIKey: YVBAUDVGOFCUSG-UHFFFAOYSA-N
Product Categories: Furan & Benzofuran; furnan Flavor; Alphabetical Listings; Flavors and Fragrances; O-P
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 1200mg/kg (1200mg/kg) | Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Safety Information of 2-Amylfuran (CAS NO.3777-69-3):
Hazard Codes: 
Xn
Risk Statements: 10-22-41
R10:Flammable.
R22:Harmful if swallowed.
R41:Risk of serious damage to the eyes.
Safety Statements: 16-26-39-36/37-23
S16:Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S39:Wear eye / face protection.
S36/37:Wear suitable protective clothing and gloves.
S23:Do not breathe vapour.
RIDADR: UN 1993 3/PG 3
WGK Germany: 3
RTECS: LU5187000
Hazard Note: Harmful
HazardClass: 3
PackingGroup: III
Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
Specification
2-Amylfuran (CAS NO.3777-69-3), its Synonyms are 2-Pentylfuran ; 2-Pentylfuran (natural) ; 2-n-Pentylfuran ; Furan, 2-pentyl- .