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| 化学名: | 3,4-ジメチルフェノール | | 英語化学名: | 3,4-Dimethylphenol | | 别名: | 1,2-Dimethyl-4-hydroxybenzene;3,4-dimethyl-pheno;4,5-Dimethylphenol;3 4-XYLENOL 98+%;3,4-DIMETHYLPHENOL PESTANAL;3,4-Dimethylphenol, 98+%;3, 4-Xylenol (3,4-Dimethylphenol);3,4-DIMETHYLPHENOL / 3,4-XYLENOL | | CAS番号: | 95-65-8 | | 分子式: | C8H10O | | 分子量: | 122.16 | | EINECS: | 202-439-5 | | カテゴリ情報: | Aromatics;Aromatic Phenols;Industrial/Fine Chemicals | | Mol File: | 95-65-8.mol |  |
| 融点 | 65-68 °C | | 沸点 | 227 °C(lit.) | | 比重(密度) | 1,138 g/cm3 | | 蒸気圧 | 0.475-130Pa at 25-66.2℃ | | 屈折率 | 1.5442 | | FEMA | 3596 | 3,4-XYLENOL | | 闪点 | 61 °C | | 貯蔵温度 | Store below +30°C. | | 溶解性 | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) | | 酸解離定数(Pka) | pK1:10.32 (25°C) | | 外見 | Crystalline Powder | | 色 | Off-white to pale cream | | 臭い (Odor) | DIMETHYLPHENOL slightly smoky and earthy character provides nice roasted notes to seafood, mushroom and coffee flavors.flat dry | | においのタイプ | dry | | 爆発限界(explosive limit) | 1.4%(V) | | 水溶解度 | SLIGHTLY SOLUBLE | | Merck | 14,10082 | | JECFA Number | 708 | | BRN | 1099267 | | 暴露限界値 | ACGIH: TWA 1 ppm | | InChIKey | YCOXTKKNXUZSKD-UHFFFAOYSA-N | | LogP | 2.23 at 25℃ | | CAS データベース | 95-65-8(CAS DataBase Reference) | | NISTの化学物質情報 | Phenol, 3,4-dimethyl-(95-65-8) | | EPAの化学物質情報 | 3,4-Dimethylphenol (95-65-8) |
| | 3,4-ジメチルフェノール Usage And Synthesis |
| 外観 | 白色～褐色又はわずかにうすい赤色, 結晶～結晶性粉末又は塊 | | 溶解性 | エタノール及びアセトンに溶けやすく、水にほとんど溶けない。 | | 用途 | 医薬?農薬(殺虫剤)?酸化防止剤?レジスト樹脂原料 | | 化学的特性 | YELLOW TO BROWNISH CRYSTALLINE MASS | | 天然物の起源 | Reported found in coffee, tomato, parmesan and romano cheese, smoked fatty fish, white wine, katsuobushi
(dried bonito) and wood vinegar. | | 使用 | Applications of 3,4-dimethylphenol:
- It can react with ethyl cinnamates in trifluoroacetic acid to form the corresponding dihydrocoumarin derivatives.
- Bromination of 3,4-dimethylphenol using bromine can lead to 6-bromo-3,4-dimethylphenol.
- It can react with 1-fluoro-4-chloromethyl-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoro-borate) (Selectfluor? F-TEDA-BF4) to form 4-fluoro-3,4-dimethylcyclohexa-2,5-dienone.
| | 定義 | ChEBI: 3,4-xylenol is a member of the class of phenols that is phenol substituted by methyl groups at positions 3 and 4. It derives from a hydride of an o-xylene. | | Aroma threshold values | Detection: 1.2 ppm | | 一般的な説明 | Colorless to light tan crystalline powder or solid. Odor threshold 1.2 mg/L. Taste threshold 0.05 mg/L. | | 空気と水の反応 | Hygroscopic. Insoluble in water. | | 反応プロフィール | 3,4-Dimethylphenol is incompatible with bases, acid chlorides, acid anhydrides, and oxidizing agents. 3,4-Dimethylphenol corrodes steel, brass, copper, and copper alloys. | | 火災危険 | Flash point data for 3,4-Dimethylphenol are not available. 3,4-Dimethylphenol is probably combustible. | | 純化方法 | Heat 3,4-xylenol with an equal weight of conc H2SO4 at 103-105o for 2-3hours, then dilute it with four volumes of water, reflux it for 1hour, and either steam distil or extract it repeatedly with diethyl ether after cooling to room temperature. The steam distillate is also extracted and evaporated to dryness. (The purification process depends on the much slower sulfonation of 3,4-dimethylphenol than most of its likely contaminants.). It can also be crystallised from water, hexane or pet ether, and sublimed in a vacuum. [Kester Ind Eng Chem (Anal Ed) 24 770 1932, Bernasconi & Paschalis J Am Chem Soc 108 29691986, Beilstein 6 IV 3099.] |
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