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| CAS No.: | 4412-91-3 |
|---|---|
| Name: | 3-Furanmethanol |
| Molecular Structure: | |
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| Formula: | C5H6O2 |
| Molecular Weight: | 98.1014 |
| Synonyms: | 3-(Hydroxymethyl)furan;3-Furancarbinol;3-Furfuryl alcohol;3-Furylcarbinol;3-Furylmethyl alcohol;Furan-3-ylmethanol; |
| EINECS: | 224-570-7 |
| Density: | 1.14 g/cm3 |
| Boiling Point: | 180.3 °C at 760 mmHg |
| Flash Point: | 38.3 °C |
| Appearance: | Colorless to light yellow liquid |
| Hazard Symbols: |
 F,  Xi
|
| Risk Codes: | 10-36/37/38 |
| Safety: | 16-26-36/37/39 |
| Transport Information: | UN 1987 3/PG 3 |
| PSA: | 33.37000 |
| LogP: | 0.77190 |
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Specification
The 3-Furanmethanol, with the CAS registry number 4412-91-3, is also known as 3-(Hydroxymethyl)furan. It belongs to the product categories of Heterocycles; Furan & Benzofuran; Aromatics Compounds; Aromatics; Isotope Labeled Compounds. Its EINECS number is 224-570-7. This chemical's molecular formula is C5H6O2 and molecular weight is 98.10. What's more, its IUPAC name is furan-3-ylmethanol. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from light.
Physical properties of 3-Furanmethanol are: (1)ACD/LogP: 0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.2; (4)ACD/BCF (pH 5.5): 1; (5)ACD/KOC (pH 5.5): 30.44; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 22.37 Å2; (10)Index of Refraction: 1.492; (11)Molar Refractivity: 25 cm3; (12)Molar Volume: 86 cm3; (13)Surface Tension: 38.8 dyne/cm; (14)Density: 1.14 g/cm3; (15)Flash Point: 38.3 °C; (16)Enthalpy of Vaporization: 44.05 kJ/mol; (17)Boiling Point: 180.3 °C at 760 mmHg; (18)Vapour Pressure: 0.588 mmHg at 25°C.
Preparation: this chemical can be prepared by furan-3-carboxylic acid by heating. This reaction will need reagent LiAlH4 and solvent tetrahydrofuran with the reaction time of 22 hours. The yield is about 83%.
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Uses of 3-Furanmethanol: it can be used to produce 3-chloromethyl-furan. It will need reagent MsCl, LiCl, s-collidine and solvent dimethylformamide. The yield is about 85%.
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When you are using this chemical, please be cautious about it as the following:
It is flammable, so you should keep it away from sources of ignition - No smoking. It is irritating to eyes, respiratory system and skin. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=COC=C1CO
(2)InChI: InChI=1S/C5H6O2/c6-3-5-1-2-7-4-5/h1-2,4,6H,3H2
(3)InChIKey: STJIISDMSMJQQK-UHFFFAOYSA-N