2,3-ジメチルブタン
2,3-ジメチルブタン · ビイソプロピル · sym-テトラメチルエタン · ジイソプロピル · 2，3ジメチルブタン · 2-3-ジメチルブタン · 2,3‐ジメチルブタン · DIISOPROPYL
識別子と物理属性
| CAS No. | 79-29-8 |
|---|---|
| 分子式 | C6H14 |
| 平均分子量 | 86.18 g/mol |
| 単同位体質量 | 86.10955045 g/mol |
| SMILES | CC(C)C(C)C |
| InChIKey | ZFFMLCVRJBZUDZ-UHFFFAOYSA-N |
| PubChem CID | 6589 |
| ChEMBL | CHEMBL1344453 |
| ChEBI | CHEBI:141560 |
| EC No. | 201-193-6 |
| DTXSID | DTXSID9025112 |
| 現地名 | 2,3-ジメチルブタン |
化学・物理的性質
| XLogP | 3.4 |
|---|---|
| 極性表面積 | 0 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 0 |
| 回転可能結合数 | 1 |
| 重原子数 | 6 |
| 形式電荷 | 0 |
| 複雑度 | 21 |
| 物質分類 | Flammable agents - 3rd degree |
| Solvents | Solvents -> Aliphatics, Saturated (<C12) |
| SpringerMaterials Properties | Schoenflies notation |
| LogP（分配係数） | Log Kow = 3.42 |
| 密度 | 0.6616 at 68 °F (NTP, 1992) - Less dense than waterwill float0.6616 @ 20 °C/4 °C0.662 g/mL at 25 °C(lit.) |
| Viscosity | Liquid viscosity = 4.5661X10-4 @ 273.15 deg K |
| Color/Form | COLORLESS LIQUID |
| 溶解度 | less than 1 mg/mL at 74.3 °F (NTP, 1992)SOL IN ETHANOL, ETHERVERY SOL IN ACETONEWater solubility = 22.5 mg/l at 25 °Cメタノールへの溶解度: 5、10、15、20 °C でそれぞれ 495、593、760、1,700 g/L。高温で混和する (Kiser et al., 1961)。水 (1mg/ml @22°C)、DMSO、エタノール、アセトンに可溶。 |
| 引火点 | -20 °F (NTP, 1992)-29 °C-20 °F (-29 °C) (CLOSED CUP)−28 °F |
| 沸点 | 136.4 °F at 760 mmHg (NTP, 1992)57.9 °C @ 760 MM HG58 °C(lit.) |
| 融点 | -199.3 °F (NTP, 1992)-128.8 °CHeat of Fusion at Melting Point = 7.9914X10+5 J/kmol-129 °C |
| 蒸気密度 | 3 (NTP, 1992) - Heavier than airwill sink (Relative to Air)3.0 (AIR= 1)3 (vs air) |
| 蒸気圧 | 7.41 psi ( 37.7 °C) |
| 屈折率 | n20/D 1.375(lit.) |
| 貯蔵条件 | Flammables area |
| 外観・状態 | 液体 |
| pKa（酸解離定数） | >14 (Schwarzenbach et al., 1993) |
| 色 | 無色 |
| 爆発限界 | ~7.7% |
| 臭気閾値 | 0.42ppm |
| 比熱容量 | Cp(liquid): 2.2 J/(g·K), at 25℃ |
| BRN | 1730737 |
| ヘンリー定数 | 1.28(atmm3/mol) at 25 °C (Mackay and Shiu, 1981) |
| 誘電率 | 1.8899999999999999 |
| 安定性 | 安定。可燃性。空気と爆発性混合物を容易に形成します。低い引火点に注意してください。強力な酸化剤、酸素とは相容れない。 |
| 主な用途 | 石油 |
| InChI | 1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3 |
| InChIKey | ZFFMLCVRJBZUDZ-UHFFFAOYSA-N |
| SMILES | CC(C)C(C)C |
| LogP（分配係数） | 3.42 |
| CAS データベース | 79-29-8(CAS DataBase Reference) |
| EPAの化学物質情報 | 2,3-Dimethylbutane (79-29-8) |
化学的特性
2,3-Dimethylbutane, C6H14, is a flammable liquid with a specific gravity of 0.66164. It is released into the atmosphere from automobile, biomass combustion, and gasoline vapor emissions.
安全性と法規制
| GHS 分類 | DangerH225: Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
|---|---|
| 規制情報 | Chemical: Butane, 2,3-dimethyl-Butane, 2,3-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butane, 2,3-dimethyl- 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: 01-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/282052,3-Dimethylbutane: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| 輸送ラベル（DOT） | Flammable 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. |
| 火災の可能性 | DANGEROUS, WHEN EXPOSED TO HEAT OR FLAMECAN REACT VIGOROUSLY WITH OXIDIZING MATERIALS. |
| 健康有害性 | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:CAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas. |
| 有害性の概要 | Causes narcosis in mice at 30,000 ppm in 30-60 minutes[ACGIH] Danger: fire and explosion[Hawley] A skin and eye irritant[CAMEO] An irritantEffects in high-dose animal studies include changes in kidney tubules[MSDSonline] |
| 輸送番号・ガイド（DOT） | 2457 128 |
| 反応性グループ | Hydrocarbons, Aliphatic Saturated |
用途
用途
溶剤、クリーナー添加剤。
使用
2,3-Dimethylbutane is used in high octane fuels and in organic synthesis. It is also used as a gas chromatography standard.
一般的な説明
A clear colorless liquid with a petroleum-like odor. Flash point -20°F. Less dense than water and insoluble in water. Vapors heavier than air.
製法・合成法
調製方法
2,3-Dimethylbutane is produced from crude oil, natural liquid gases, and petroleum refining processes.
純化方法
Distil it from sodium, pass it through a column of silica gel (activated by heating in nitrogen to 350o before use) to remove unsaturated impurities, and again distil it from sodium. Also distil it azeotropically with MeOH, then wash with water, dry (Na2SO4) it, and redistil it. [Beilstein 1 IV 371.]