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CAS No.: | 5554-99-4 |
---|---|
Name: | (2-Methyl-3-furyl)methanol |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C6H8O2 |
Molecular Weight: | 112.128 |
Synonyms: | (2-Methyl-3-furyl)methanol;(2-Methylfuran-3-yl)methanol;2-Methyl-3-furanmethanol;3-(Hydroxymethyl)-2-methylfuran; |
Density: | 1.095 g/cm3 |
Boiling Point: | 75.1 °C at 760 mmHg |
Flash Point: | -1℃ |
Hazard Symbols: | Xi |
PSA: | 33.37000 |
LogP: | 1.08030 |
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The (2-Methyl-3-furyl)methanol is an organic compound with the formula C6H8O2. The systematic name of this chemical is (2-methylfuran-3-yl)methanol. With the CAS registry number 5554-99-4, it is also named as (2-methyl-3-furyl)methan-1-ol.
Physical properties about (2-Methyl-3-furyl)methanol are: (1)ACD/LogP: 0.66; (2)ACD/LogD (pH 5.5): 0.66; (3)ACD/LogD (pH 7.4): 0.66; (4)ACD/BCF (pH 5.5): 1.86; (5)ACD/BCF (pH 7.4): 1.86; (6)ACD/KOC (pH 5.5): 54.17; (7)ACD/KOC (pH 7.4): 54.17; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 22.37 Å2; (12)Index of Refraction: 1.494; (13)Molar Refractivity: 29.82 cm3; (14)Molar Volume: 102.3 cm3; (15)Polarizability: 11.82×10-24cm3; (16)Surface Tension: 37 dyne/cm; (17)Density: 1.095 g/cm3; (18)Enthalpy of Vaporization: 33.46 kJ/mol; (19)Boiling Point: 75.1 °C at 760 mmHg; (20)Vapour Pressure: 93.7 mmHg at 25°C.
Preparation of (2-Methyl-3-furyl)methanol: this chemical can be prepared by 2-methyl-furan-3-carboxylic acid. This reaction will need reagent lithium aluminium hydride and solvent diethyl ether. The yield is about 93%.
Uses of (2-Methyl-3-furyl)methanol: it can be used to produce 3-benzyloxymethyl-2-methyl-furan. It will need reagents tetrahydrofuran, dimethylformamide.
You can still convert the following datas into molecular structure:
(1)SMILES: OCc1c(occ1)C
(2)InChI: InChI=1/C6H8O2/c1-5-6(4-7)2-3-8-5/h2-3,7H,4H2,1H3
(3)InChIKey: FTYOGLDPNBZSQC-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C6H8O2/c1-5-6(4-7)2-3-8-5/h2-3,7H,4H2,1H3
(5)Std. InChIKey: FTYOGLDPNBZSQC-UHFFFAOYSA-N