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Name
5-hexyldihydro-4-methylfuran-2(3H)-one
- EINECS 266-847-5
- CAS No. 67663-01-8
- Article Data4
- CAS DataBase
- Density 0.922 g/cm3
- Solubility
- Melting Point
- Formula C11H20O2
- Boiling Point 275.4 °C at 760 mmHg
- Molecular Weight 184.279
- Flash Point 110.1 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 5-hexyldihydro-4-methylfuran-2(3H)-one;5-Hexyl-4,5-dihydro-4-methyl-2(3H)-furanone;2(3H)-Furanone, 5-hexyldihydro-4-methyl-;Einecs 266-847-5;5-Hexyl-4-Methyldihydrofuran-2(3H)-one
- PSA 26.30000
- LogP 2.90840
2(3H)-Furanone,5-hexyldihydro-4-methyl- Specification
This chemical is called 2(3H)-Furanone,5-hexyldihydro-4-methyl-, and its systematic name is 5-hexyl-4-methyldihydrofuran-2(3H)-one. With the molecular formula of C11H20O2, its molecular weight is 184.28. The CAS registry number of this chemical is 67663-01-8.
Other characteristics of the 2(3H)-Furanone,5-hexyldihydro-4-methyl- can be summarised as followings: (1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.88; (4)ACD/LogD (pH 7.4): 2.88; (5)ACD/BCF (pH 5.5): 90.41; (6)ACD/BCF (pH 7.4): 90.41; (7)ACD/KOC (pH 5.5): 874.74; (8)ACD/KOC (pH 7.4): 874.74; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.44; (14)Molar Refractivity: 52.74 cm3; (15)Molar Volume: 199.8 cm3; (16)Polarizability: 20.91×10-24cm3; (17)Surface Tension: 28.6 dyne/cm; (18)Density: 0.922 g/cm3; (19)Flash Point: 110.1 °C; (20)Enthalpy of Vaporization: 51.38 kJ/mol; (21)Boiling Point: 275.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00512 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C1OC(CCCCCC)C(C1)C
2.InChI: InChI=1/C11H20O2/c1-3-4-5-6-7-10-9(2)8-11(12)13-10/h9-10H,3-8H2,1-2H3
3.InChIKey: XNRLAEXLQFIKEY-UHFFFAOYAS
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