酪酸無水物
酪酸無水物 · 二酪酸無水物 · ブタン酸ブチリル · 無水ブタン酸 · ビス(ブタン酸)無水物 · 二ブタン酸無水物 · ジブタン酸無水物 · ビスブタン酸無水物
識別子と物理属性
| CAS No. | 106-31-0 |
|---|---|
| 分子式 | C8H14O3 |
| 平均分子量 | 158.19 g/mol |
| 単同位体質量 | 158.09429431 g/mol |
| SMILES | CCCC(=O)OC(=O)CCC |
| InChIKey | YHASWHZGWUONAO-UHFFFAOYSA-N |
| PubChem CID | 7798 |
| ChEMBL | CHEMBL1566369 |
| EC No. | 203-383-4 |
| DTXSID | DTXSID8026729 |
| 現地名 | 酪酸無水物 |
化学・物理的性質
| XLogP | 1.6 |
|---|---|
| 極性表面積 | 43.4 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 6 |
| 重原子数 | 11 |
| 形式電荷 | 0 |
| 複雑度 | 124 |
| 物質分類 | Other Classes -> Acid Anhydrides, OtherCorrosives |
| SpringerMaterials Properties | Boiling point |
| LogP（分配係数） | log Kow = 1.39 /estimatedvalue theoretical due to hydrolysis in water/ |
| 臭い | PUNGENT ODORバター臭 |
| 密度 | 0.9668 at 20 °C/4 °C0.967 g/mL at 25 °C (lit.) |
| Viscosity | 1.59 cP at 20 °C |
| Color/Form | Water-white liquid |
| 溶解度 | Soluble in water and alcohol with decompositionsoluble in etherアルコール: 可溶 (分解あり)(lit.)分解する |
| 引火点 | 180 °F (NFPA, 2010)180 °F (54 °C) (closed cup)190 °F |
| 沸点 | 200 °C198-199 °C (lit.) |
| Decomposition | When headed to decomposition it emits acrid smoke and irritating vapors. |
| 融点 | -75 °C-75--66 °C (lit.) |
| 蒸気密度 | 5.45 (vs air) |
| 蒸気圧 | 10 mm Hg ( 79.5 °C) |
| 屈折率 | n20/D 1.413(lit.) |
| 貯蔵条件 | Store below +30°C. |
| 外観・状態 | 液体 |
| 色 | 無色透明～薄黄色 |
| 由来生物 | synthetic |
| 爆発限界 | 1.1%, 104°F |
| 比熱容量 | Cp(liquid): 1.79 J/(g·K), at 25℃ |
| Merck | 14,1594 |
| BRN | 1099474 |
| 誘電率 | 12.0(Ambient) |
| InChI | 1S/C8H14O3/c1-3-5-7(9)11-8(10)6-4-2/h3-6H2,1-2H3 |
| InChIKey | YHASWHZGWUONAO-UHFFFAOYSA-N |
| SMILES | CCCC(=O)OC(=O)CCC |
| LogP（分配係数） | 1.390 |
| CAS データベース | 106-31-0(CAS DataBase Reference) |
| NISTの化学物質情報 | Butanoic acid, anhydride(106-31-0) |
| EPAの化学物質情報 | Butyric anhydride (106-31-0) |
化学的特性
clear liquid
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 4.8% (21 of 437) of reports.DangerH302 (63.4%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 437 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: Butanoic acid, anhydrideButanoic acid, 1,1'-anhydride is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanoic acid, 1,1'-anhydride 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: 01-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12002Butyric anhydride: 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） | Corrosive |
| 火災危険 | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:· Combustible material: may burn but does not ignite readily. |
| 健康有害性 | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:· TOXIC and/or CORROSIVEinhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death. |
| 有害性の概要 | A skin and eye irritant[HSDB] A corrosive substance that can react with moisture in the respiratory tract to form butyric acidCan cause permanent eye damageInhalation of high concentrations may cause pulmonary edema[CHEMINFO] A corrosive substance that can cause injury to the skin, eyes, mucous membranes, and respiratory tractMay cause chemical pneumonitis if inhaled |
用途
用途
酪酸エステル、医薬品、可塑剤、香料、皮なめし剤等
用途
有機合成原料。
説明
Butyric anhydride, or Butanoic anhydride, is a chemical compound with the formula (CH3CH2CH2CO)2O.It is a colorless liquid that smells strongly of butyric acid, formed by its reaction with the moisture in the air.
使用
Butyric anhydride is used in the preparation of amidoamine dendron-based co-adsorbents, which finds application in dye- sensitized solar cells improvement. It is also used in the synthesis of butyrate ester, which is used as a perfume and flavor. Further, it acts as a fumigant to drive bees from their hives. In addition to this, it is used in food additives, textile auxiliaries, varnishes, perfumes, pharmaceuticals and disinfectants.
一般的な説明
Water-white liquid with an odor of rancid butter. Flash point 190°F. Density 8.0 lb / gal. Corrosive to metals and tissue. Low toxicity.
製法・合成法
製造方法
To a cooled flask containing 88 gm (1.0 mole) of η-butyric acid at 10°C is added dropwise 28.0 gm (0.5 mole) of methoxyacetylene over a 1-hr period. After stirring the reaction mixture for 16 hr at 20°C the contents are distilled to afford the following three fractions: (1) b.p. 56°C, η& 1.3628, 23 gm (62%), methyl acetate; (2) b.p. 72-73°C (18 mm Hg), n% 1.3990, 10.0 gm (11%), butyric acid; (3) b.p. 91-92°C (18mmHg), 1.4118, 48.0 gm (61%), butyric anhydride.
純化方法
Dry the anhydride by shaking it with P2O5, then distilling it. [Beilstein 2 IV 802.]