Product Name

  • Name

    4-methyl-4-(5-methyl-2-furyl)pentan-2-one

  • EINECS 250-773-5
  • CAS No. 31704-82-2
  • Article Data11
  • CAS DataBase
  • Density 0.972 g/cm3
  • Solubility
  • Melting Point
  • Formula C11H16O2
  • Boiling Point 246.1 °C at 760 mmHg
  • Molecular Weight 180.247
  • Flash Point 107.2 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 31704-82-2 (4-methyl-4-(5-methyl-2-furyl)pentan-2-one)
  • Hazard Symbols
  • Synonyms 2-Pentanone,4-methyl-4-(5-methyl-2-furyl)- (6CI,7CI,8CI);2-Methyl-5-(1,1-dimethyl-3-oxobutyl)furan;4-Methyl-4-(5-methylfuran-2-yl)pentan-2-one;4-Methyl-4-(5-methyl-2-furyl)pentan-2-one;
  • PSA 30.21000
  • LogP 2.84470

2-Pentanone,4-methyl-4-(5-methyl-2-furanyl)- Specification

The 2-Pentanone,4-methyl-4-(5-methyl-2-furanyl)-, with the CAS registry number 31704-82-2, is also known as 2-Methyl-5-(1,1-dimethyl-3-oxobutyl)furan. Its EINECS number is 250-773-5. This chemical's molecular formula is C11H16O2 and molecular weight is 180.24. What's more, its systematic name is 4-Methyl-4-(5-methylfuran-2-yl)pentan-2-one.

Physical properties of 2-Pentanone,4-methyl-4-(5-methyl-2-furanyl)- are: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.99; (4)ACD/LogD (pH 7.4): 1.99; (5)ACD/BCF (pH 5.5): 19.14; (6)ACD/BCF (pH 7.4): 19.14; (7)ACD/KOC (pH 5.5): 287.86; (8)ACD/KOC (pH 7.4): 287.86; (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: 1.463; (14)Molar Refractivity: 51.05 cm3; (15)Molar Volume: 185.3 cm3; (16)Polarizability: 20.24×10-24 cm3; (17)Surface Tension: 29.4 dyne/cm; (18)Density: 0.972 g/cm3; (19)Flash Point: 107.2 °C; (20)Enthalpy of Vaporization: 48.32 kJ/mol; (21)Boiling Point: 246.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0277 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-methyl-furan and 4-methyl-pent-3-en-2-one. This reaction will need solvent acetonitrile with the reaction time of 14 days. This reaction will also need catalyst AuCl3. The yield is about 75%.

2-Pentanone,4-methyl-4-(5-methyl-2-furanyl)- can be prepared by 2-methyl-furan and 4-methyl-pent-3-en-2-one

Uses of 2-Pentanone,4-methyl-4-(5-methyl-2-furanyl)-: it can be used to produce 4-methyl-4-(5-methyl-thiophen-2-yl)-pentan-2-one at the ambient temperature. It will need reagents H2S, HCl and solvent acetic acid. The yield is about 74%.

2-Pentanone,4-methyl-4-(5-methyl-2-furanyl)- can be used to produce 4-methyl-4-(5-methyl-thiophen-2-yl)-pentan-2-one at the ambient temperature

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=C(O1)C(C)(C)CC(=O)C
(2)InChI: InChI=1S/C11H16O2/c1-8(12)7-11(3,4)10-6-5-9(2)13-10/h5-6H,7H2,1-4H3
(3)InChIKey: QCAUMBKKZVOPPF-UHFFFAOYSA-N

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