テトラヒドロフルフリルアルコール
テトラヒドロフルフリルアルコール · テトラヒドロフラン-2-メタノール · 2-オキソランメタノール · [(テトラヒドロフラン)-2-イル]メタノール · 2-(ヒドロキシメチル)テトラヒドロフラン · テトラヒドロ-2-フランメタノール · オキソラン-2-メタノール · テトラヒドロフルフリルアルコ-ル
識別子と物理属性
| CAS No. | 93842-55-8 |
|---|---|
| 分子式 | C5H10O2 |
| 平均分子量 | 102.13 g/mol |
| 単同位体質量 | 102.06807956 g/mol |
| SMILES | OCC1CCCO1 |
| InChIKey | BSYVTEYKTMYBMK-UHFFFAOYSA-N |
| PubChem CID | 7360 |
| ChEMBL | CHEMBL2287521 |
| ChEBI | CHEBI:137944 |
| EC No. | 202-625-6 |
| DTXSID | DTXSID1029128 |
| 現地名 | テトラヒドロフルフリルアルコール |
化学・物理的性質
| XLogP | -0.1 |
|---|---|
| 極性表面積 | 29.5 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 1 |
| 重原子数 | 7 |
| 形式電荷 | 0 |
| 複雑度 | 54 |
| 臭い | Mild odorOdorless100.00%で。野菜のカリフラワー ほのかに温かいオイリーキャラメル |
| 密度 | 1.0544 @ 20 °C/20 °CRelative density (water = 1): 1.051.050-1.0521.054 g/mL at 25 °C (lit.) |
| Viscosity | 6.24 centipoises @ 20 °C |
| Color/Form | Colorless liquid |
| 溶解度 | Miscible with water, alcohol, ether, acetone, chloroform, benzene1000 mg/mL at 25 °CSolubility in water: miscibleSoluble in water, fatsSoluble (in ethanol)アセトン：混和性（点灯）溶ける |
| 引火点 | 167 °F (NFPA, 2010)75 °C167 °F (75 °C) (OPEN CUP)74 °C c.c.183 °F |
| 沸点 | 178 °C @ 760 mm Hg178.00 to 179.00 °C. @ 760.00 mm Hg178-179 °C178 °C (lit.) |
| Decomposition | When heated to decomposition it emits acrid smoke & irritating fumes. |
| 融点 | Less than -80 °C< -80 °C-80 °C (lit.) |
| 蒸気密度 | 3.522 (Air = 1)Relative vapor density (air = 1): 3.53.52 (vs air) |
| 蒸気圧 | 0.8 [mmHg]0.80 mm Hg @ 25 °CVapor pressure, kPa at 25 °C: 0.1862.3 mm Hg ( 39 °C) |
| Surface Tension | 37 dynes/cm @ 25 °C |
| 屈折率 | n20/D 1.452(lit.) |
| FEMA | 3056 | TETRAHYDROFURFURYL ALCOHOL |
| 貯蔵条件 | Store below +30°C. |
| 外観・状態 | 液体 |
| pKa（酸解離定数） | 14.44±0.10(Predicted) |
| 色 | クリア |
| においのタイプ | 野菜 |
| 由来生物 | synthetic |
| 爆発限界 | 1.5-9.7%(V) |
| Merck | 14,9213 |
| JECFA Number | 1443 |
| BRN | 102723 |
| ヘンリー定数 | 4.4×101 mol/(m3Pa) at 25℃, Yaws (2003) |
| 誘電率 | 13.48 |
| 主な用途 | フレーバーそして香料 |
| 化粧品成分の機能 | 香料溶媒 |
| InChI | 1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2 |
| InChIKey | BSYVTEYKTMYBMK-UHFFFAOYSA-N |
| SMILES | OCC1CCCO1 |
| LogP（分配係数） | -0.14 at 24.7℃ |
| CAS データベース | 97-99-4(CAS DataBase Reference) |
| NISTの化学物質情報 | 2-Furanmethanol, tetrahydro-(97-99-4) |
| EPAの化学物質情報 | Tetrahydrofurfuryl alcohol (97-99-4) |
化学的特性
Tetrahydrofurfuryl alcohol is a colorless to light yellow hygroscopic liquid that has a faint, warm, oily, caramellic odor with a coffee and nut-like flavor at very low levels (0.03 to 1 ppm). Miscible with water, ethanol, ether, acetone, chloroform and benzene, insoluble in paraffin hydrocarbons. It has an extensive history of use as a highly versatile, high purity solvent.
安全性と法規制
| GHS 分類 | DangerH319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]H360Df: May damage the unborn childSuspected of damaging fertility [Danger Reproductive toxicity]P203, P264+P265, P280, P305+P351+P338, P318, P337+P317, P405, and P501 (click each P-code to see the statement) |
|---|---|
| 規制情報 | Chemical: 2-Furanmethanol, tetrahydro-Hazard Traits - Reproductive ToxicityAuthoritative List - EC Annex VI CMRs - Cat. 1BReport - if used as a fragrance or flavor ingredientCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)2-Furanmethanol, tetrahydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Furanmethanol, tetrahydro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 05-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/133712-Furanmethanol, tetrahydro-: Does not have an individual approval but may be used under an appropriate group standard |
| その他の安全情報 | IMAP assessments - 2-Furanmethanol, tetrahydro-: Human health tier II assessment |
| 輸送ラベル（DOT） | Combustible Liquid |
| 火災危険 | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids will float on water. Substance may be transported hot. For hybrid vehicles, ERG Guide 147 (lithium ion or sodium ion batteries) or ERG Guide 138 (sodium batteries) should also be consulted. If molten aluminum is involved, refer to ERG Guide 169. (ERG, 2024)Combustible. Above 74 °C explosive vapour/air mixtures may be formed. Risk of fire and explosion on contact with strong oxidants. |
用途
用途
染料溶剤、ゼラチン溶液安定剤、漂白用の湿潤剤、可塑剤、防カビ剤、塗料、ジヒドロピラン原料、合成医薬品中間体原料
天然物の起源
Reported found in shoyu (fermented soya hydrolysate), coffee and fresh mango.
使用
Tetrahydrofurfuryl alcohol is used extensively in various industries as a high-purity, water miscible solvent, and as a chemical intermediate. It was used as Solvent for vinyl resins; dyes for leather; chlorinated rubber; cellulose esters; solvent softener for nylon; vegetable oils; coupling agent; organic synthesis.
一般的な説明
Tetrahydrofurfuryl alcohol appears as a clear colorless liquid with a mild odor. Vapors are heavier than air.
製法・合成法
製造方法
Tetrahydrofurfuryl alcohol is produced by catalytic reduction of furfural with Raney-Ni; also by destructive hydrogenation of lignin.