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CAS No.: | 14497-27-9 |
---|---|
Name: | 5-PROPYL-FURAN-2-CARBALDEHYDE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C8H10O2 |
Molecular Weight: | 138.16 |
Synonyms: | 2-Furaldehyde,5-propyl- (8CI);5-Propyl-furan-2-carbaldehyde; |
Density: | 1.037 g/cm3 |
Melting Point: | 100-101 °C |
Boiling Point: | 221.6 °C at 760 mmHg |
Flash Point: | 76.1 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
Safety: | 36/37 |
PSA: | 30.21000 |
LogP: | 2.04460 |
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The 2-Furancarboxaldehyde, 5-propyl-, with the CAS registry number 14497-27-9, is also known as 5-Propyl-furan-2-carbaldehyde. This chemical's molecular formula is C8H10O2 and molecular weight is 138.16. What's more, its systematic name is 5-Propylfuran-2-carbaldehyde. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 2-Furancarboxaldehyde, 5-propyl- are: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.25; (4)ACD/LogD (pH 7.4): 2.25; (5)ACD/BCF (pH 5.5): 30.41; (6)ACD/BCF (pH 7.4): 30.41; (7)ACD/KOC (pH 5.5): 401.01; (8)ACD/KOC (pH 7.4): 401.01; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 30.21 Å2; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 39.48 cm3; (15)Molar Volume: 133.2 cm3; (16)Polarizability: 15.65×10-24 cm3; (17)Surface Tension: 34.4 dyne/cm; (18)Density: 1.037 g/cm3; (19)Flash Point: 76.1 °C; (20)Enthalpy of Vaporization: 45.81 kJ/mol; (21)Boiling Point: 221.6 °C at 760 mmHg; (22)Vapour Pressure: 0.106 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1oc(cc1)CCC
(2) InChI: InChI=1/C8H10O2/c1-2-3-7-4-5-8(6-9)10-7/h4-6H,2-3H2,1H3
(3) InChIKey: VRUAYAKBONDNBE-UHFFFAOYAI