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| | 1,3-Benzenedimethanol Basic information |
| Product Name: | 1,3-Benzenedimethanol | | Synonyms: | m-Xylene glycol;1,3-Phenylenebismethanol;Isophthalyl alcohol;1,3-Bis(hydroxymethyl)benzene~m-Xylene-alpha,alpha-diol;1,3-BENZENEDIMETHANOL 98%;1,3-Benzenedimethanol,98%;m-xylene-à,à'-diol;m-xylene-α,α'-diol | | CAS: | 626-18-6 | | MF: | C8H10O2 | | MW: | 138.16 | | EINECS: | 210-934-2 | | Product Categories: | Benzhydrols, Benzyl & Special Alcohols;Benzene derivates | | Mol File: | 626-18-6.mol |  |
| | 1,3-Benzenedimethanol Chemical Properties |
| Melting point | 56-60 °C (lit.) | | Boiling point | 154-159 °C/13 mmHg (lit.) | | density | 1.1610 | | refractive index | 1.5090 (estimate) | | Fp | 154-159°C/13mm | | storage temp. | Sealed in dry,Room Temperature | | pka | 13.98±0.10(Predicted) | | form | Solution, may develop some turbidity precipitate | | color | Clear to hazy colorless to yellow | | Water Solubility | Soluble in water. | | BRN | 1562398 | | InChI | 1S/C8H10O2/c9-5-7-2-1-3-8(4-7)6-10/h1-4,9-10H,5-6H2 | | InChIKey | YWMLORGQOFONNT-UHFFFAOYSA-N | | SMILES | OCc1cccc(CO)c1 | | CAS DataBase Reference | 626-18-6(CAS DataBase Reference) | | EPA Substance Registry System | 1,3-Benzenedimethanol (626-18-6) |
| Hazard Codes | Xn | | Risk Statements | 20/22-36-22 | | Safety Statements | 9-7-23-26 | | WGK Germany | 3 | | TSCA | TSCA listed | | HS Code | 29062900 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral
Eye Irrit. 2 |
| | 1,3-Benzenedimethanol Usage And Synthesis |
| Chemical Properties | WHITE CRYSTALLINE POWDER AND CHUNKS | | Uses | 1,3-Benzenedimethanol was used in the synthesis of a series of cross-linked poly(orthocarbonate)s. It was also used in the synthesis of mixed-tethered system, required for the preparation of e-edge-[60]fullerenylmethanodihydropyrrole adduct. | | Synthesis | The general procedure for the synthesis of 1,3-benzenedimethanol from isophthalaldehyde was as follows: in a 25 mL round bottom flask equipped with a magnetic stirrer, an ethanol solution (5 mL) of isophthalaldehyde (1 mmol) was added. Subsequently, P(BVP)BH4 (100 mg) was added to the reaction system and the reaction was stirred at room temperature. The reaction process was monitored by thin layer chromatography (TLC). Upon completion of the reaction, the reaction mixture was filtered and washed sequentially with 1.0 M hydrochloric acid (2 × 10 mL) and ethanol (25 mL) to remove unreacted reagents. The filtrates were combined and concentrated under reduced pressure to give pure 1,3-benzenedimethanol in moderate to very high yields. For the few cases where the reaction is incomplete, the crude product needs to be purified by silica gel column chromatography using an appropriate eluent (see Scheme 1). | | References | [1] Chemistry - A European Journal, 2013, vol. 19, # 24, p. 7701 - 7707
[2] Journal of Organic Chemistry, 2018, vol. 83, # 4, p. 2274 - 2281
[3] Comptes Rendus Chimie, 2013, vol. 16, # 8, p. 721 - 727
[4] Comptes Rendus Chimie, 2014, vol. 17, # 1, p. 23 - 29
[5] Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry, 2003, vol. 42, # 4, p. 744 - 750 |
| | 1,3-Benzenedimethanol Preparation Products And Raw materials |
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