3-Phenoxybenzyl alcohol CAS 13826-35-2
Introduction：Basic information about 3-Phenoxybenzyl alcohol CAS 13826-35-2, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
3-Phenoxybenzyl alcohol Basic information
| Product Name: | 3-Phenoxybenzyl alcohol |
| Synonyms: | benzenemethanol,3-phenoxy-,;Benzyl alcohol, m-phenoxy-;m-phenoxy-benzylalcoho;3-phenoxybenzylic alcohol;m-Phenoxy Benzalcohol 3-Phenoxy Benzalcohol;Phenoxybenzyl alcohol;3-PhenoxyBenzalcohol;m-Phenoxy Benzalcohol |
| CAS: | 13826-35-2 |
| MF: | C13H12O2 |
| MW: | 200.23 |
| EINECS: | 237-525-1 |
| Product Categories: | Benzhydrols, Benzyl & Special Alcohols;Alcohols;C9 to C30;Oxygen Compounds |
| Mol File: | 13826-35-2.mol |
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 | n |
| 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) |
Safety Information
| 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. |
| 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 | 39515-51-0 13826-35-2 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
| Raw materials | Ethanol-->Sodium hydroxide-->Potassium hydroxide-->Benzene-->Lithium Aluminum Hydride-->Formaldehyde-->Sodium formate-->3-Phenoxybenzaldehyde-->Benzyl benzoate-->3-Phenoxybenzoic acid-->3-PHENOXYBENZYL CHLORIDE-->1-(CHLOROMTHYL)-3-PHENOXY BENZENE-->METHYL 3-PHENOXYBENZOATE-->3-Hydroxybenzyl alcohol-->3-PHENOXYTOLUENE |
| Preparation Products | Deltamethrin-->Cypermethrin-->λ-Cyhalothrin-->3-PHENOXYBENZALDEHYDE CYANOHYDRIN-->CYCLOPROTHRIN-->VALERATE-->TRALOMETHRIN-->ETHOPERMETHRIN，95%-->Tau-fluvalinate-->S-α-cyano-3-phenoxy benzyl alcohol-->1-(BROMOMETHYL)-3-PHENOXYBENZENE-->3-PHENOXYPHENYLACETONITRILE |
