Furan, 2,4-dimethyl- supplier

Name
2,4-dimethylfuran
EINECS
CAS No. 3710-43-8
Article Data3
CAS DataBase
Density 0.917 g/cm³
Solubility
Melting Point -62.8°C (estimate)
Formula C₆H₈O
Boiling Point 95.2 °C at 760 mmHg
Molecular Weight 96.1289
Flash Point 0.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,4-Dimethylfuran;3,5-Dimethylfuran;
PSA 13.14000
LogP 1.89640

Furan, 2,4-dimethyl- Specification

The IUPAC name of Furan, 2,4-dimethyl- is 2,4-dimethylfuran. With the CAS registry number 3710-43-8, it is also named as 3,5-Dimethylfuran. In addition, its molecular formula is C₆H₈O and molecular weight is 96.12712.

The other characteristics of Furan, 2,4-dimethyl- can be summarized as: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.3; (4)ACD/LogD (pH 7.4): 2.3; (5)ACD/BCF (pH 5.5): 32.94; (6)ACD/BCF (pH 7.4): 32.94; (7)ACD/KOC (pH 5.5): 424.63; (8)ACD/KOC (pH 7.4): 424.63; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 13.14 Å²; (13)Index of Refraction: 1.45; (14)Molar Refractivity: 28.2 cm³; (15)Molar Volume: 104.7 cm³; (16)Polarizability: 11.18×10^-24cm³; (17)Surface Tension: 25.9 dyne/cm; (18)Density: 0.917 g/cm³; (19)Flash Point: 0.8 °C; (20)Enthalpy of Vaporization: 32.09 kJ/mol; (21)Boiling Point: 95.2 °C at 760 mmHg; (22)Vapour Pressure: 52.4 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: o1c(cc(c1)C)C
(2)InChI: InChI=1/C6H8O/c1-5-3-6(2)7-4-5/h3-4H,1-2H3
(3)InChIKey: AABTWRKUKUPMJG-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C6H8O/c1-5-3-6(2)7-4-5/h3-4H,1-2H3
(5)Std. InChIKey: AABTWRKUKUPMJG-UHFFFAOYSA-N

Product Name

2,4-dimethylfuran

Furan, 2,4-dimethyl- Specification

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