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| | 3-Phenoxybenzyl alcohol Basic information |
| | 3-Phenoxybenzyl alcohol Chemical Properties |
| Melting point | 4-7°C | | Boiling point | 135-140 °C/0.1 mmHg (lit.) | | density | 1.149 g/mL at 25 °C (lit.) | | vapor pressure | 0.1 mm Hg ( 37.7 °C) | | refractive index | n20/D 1.591(lit.) | | Fp | >230 °F | | storage temp. | Sealed in dry,Room Temperature | | solubility | Chloroform (Slightly), Methanol (Slightly) | | form | Solid or Liquid | | pka | 14.19±0.10(Predicted) | | color | White or clear colorless | | Water Solubility | Insoluble | | BRN | 475312 | | Stability: | Stable. Combustible. Incompatible with strong oxidizing agents. | | InChI | 1S/C13H12O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9,14H,10H2 | | InChIKey | KGANAERDZBAECK-UHFFFAOYSA-N | | SMILES | OCc1cccc(Oc2ccccc2)c1 | | LogP | 2.797 at 25℃ | | CAS DataBase Reference | 13826-35-2(CAS DataBase Reference) | | NIST Chemistry Reference | Benzenemethanol, 3-phenoxy-(13826-35-2) | | EPA Substance Registry System | 3-Phenoxybenzenemethanol (13826-35-2) |
| Hazard Codes | Xn,Xi | | Risk Statements | 22 | | Safety Statements | 26-36/37-29 | | RIDADR | UN 3082 9 / PGIII | | WGK Germany | 3 | | RTECS | DP0775400 | | Hazard Note | Irritant | | TSCA | TSCA listed | | HS Code | 29062990 | | Storage Class | 10 - Combustible liquids | | Hazard Classifications | Acute Tox. 4 Oral | | Toxicity | mouse,LD50,intraperitoneal,575mg/kg (575mg/kg),Journal of Agricultural and Food Chemistry. Vol. 25, Pg. 9, 1977. |
| | 3-Phenoxybenzyl alcohol Usage And Synthesis |
| Chemical Properties | colourless liquid | | Uses | 3-Phenoxybenzyl alcohol has been used in the synthesis of 3-phenoxylbenzyl β-D-glucuronide. | | Definition | ChEBI: A member of the class of benzyl alcohols that is benzyl alcohol bearing a phenoxy substituent at C-3. It is a metbaolite of the insecticide permethrin. | | Flammability and Explosibility | Non flammable | | Synthesis | M-phenoxybenzaldehyde (5 g, 25.22 mmol) was dissolved in anhydrous methanol (60 mL), cooled to 0 °C, and sodium borohydride (1.14 g, 30.26 mmol) was added in batches. The reaction mixture was stirred at room temperature for 1.5 hours and then concentrated under reduced pressure. The resulting residue was quenched with saturated aqueous ammonium chloride solution (50 mL) and extracted with ethyl acetate (3 x 50 mL). The organic phases were combined, dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure to give 3-phenoxybenzyl alcohol (5 g, 99% yield). The product was analyzed by LCMS showing [M+H]+ m/z 183.0, retention time 5.4 min, and purity 93.1% (area normalization method). | | References | [1] Patent: WO2015/130905, 2015, A1. Location in patent: Paragraph 00209
[2] Tetrahedron Letters, 2015, vol. 56, # 46, p. 6460 - 6462
[3] Journal of Organic Chemistry, 2004, vol. 69, # 5, p. 1492 - 1496
[4] Patent: WO2018/42461, 2018, A1. Location in patent: Page/Page column 7; 8
[5] Patent: US4366325, 1982, A |
| | 3-Phenoxybenzyl alcohol Preparation Products And Raw materials |
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