エタン二酸·2水和物
しゅう酸·2水和物 · しゅう酸·二水和物 · エタン二酸·2水和物 · シュウ酸二水和物 · シュウ酸二水和物 TRACESELECT,≥99.9999% (METALS BASIS) · しゅう酸(2水和物) · OXALIPLATIN RELATED COMPOUND A (エタン二酸, 二水和物) · シュウ酸 二水和物
識別子と物理属性
| CAS No. | 6153-56-6 |
|---|---|
| 分子式 | C2H2O4.2H2O |
| 平均分子量 | 126.07 g/mol |
| 単同位体質量 | 126.01643791 g/mol |
| SMILES | O.O.O=C(O)C(=O)O |
| InChIKey | GEVPUGOOGXGPIO-UHFFFAOYSA-N |
| PubChem CID | 61373 |
| ChEMBL | CHEMBL5315063 |
| EC No. | 612-167-2 |
| DTXSID | DTXSID2075003 |
| 現地名 | エタン二酸·2水和物 |
化学・物理的性質
| 極性表面積 | 76.6 |
|---|---|
| 水素結合供与体数 | 4 |
| 水素結合受容体数 | 6 |
| 回転可能結合数 | 1 |
| 重原子数 | 8 |
| 形式電荷 | 0 |
| 複雑度 | 71.5 |
| 物質分類 | Other Classes -> Organic Acids |
| 香料 | Fragrance Ingredient (Oxalic acid dihydrate) -> IFRA transparency List |
| LogP（分配係数） | -0.81 |
| 密度 | 1.65 g/cm³1.653 @25 °C1,65 g/cm3 |
| 溶解度 | Solubility in water, g/100ml at 20 °C: 13-14H2O: 20℃で可溶1M、無色透明138g/L（20℃） |
| Animal Drugs | EMA approved medicines: Veterinary medicine |
| 融点 | 101-102 °C189.5 °C104-106 °C(lit.) |
| 蒸気圧 | 0.54 [mm Hg] @105 °C<0.01 mm Hg ( 20 °C) |
| Physical Description | Large CrystalsDry PowderOther SolidLiquidColorless solid[ICSC] Colorless hygroscopic crystals[Sigma-Aldrich MSDS]COLOURLESS CRYSTALS. |
| 沸点 | 108-109°C |
| 蒸気密度 | 4.4 (vs air) |
| 引火点 | 157°C |
| 貯蔵条件 | Store at +5°C to +30°C. |
| 外観・状態 | 粉体・固形 |
| 比重 | 1.65 |
| 色 | 黄色から黄緑色 |
| pH | ~1.0 (25℃, 1M in H2O) |
| Merck | 14,6911 |
| BRN | 3679436 |
| 安定性 | 安定。アルカリ、酸塩化物、鋼、銀、銀化合物、湿気とは相容れない。金属との接触を避けてください。 |
| InChI | 1S/C2H2O4.2H2O/c3-1(4)2(5)6/h(H,3,4)(H,5,6)2*1H2 |
| InChIKey | GEVPUGOOGXGPIO-UHFFFAOYSA-N |
| SMILES | [H]O[H].[H]O[H].OC(=O)C(O)=O |
| CAS データベース | 6153-56-6(CAS DataBase Reference) |
| NISTの化学物質情報 | Oxalic acid dihydrate(6153-56-6) |
| EPAの化学物質情報 | Oxalic acid dihydrate (6153-56-6) |
| Absorption | cut-off at 303nm in H2O at 1M |
化学的特性
Oxalic acid dihydrate occurs as colorless crystals or a white crystalline powder; it is odorless. It sublimes at 150–160 °C and effloresces in warm, dry air. One gram is soluble in 7 mL of water, 2 mL of boiling water, 2.5 mL of ethanol, 1.8 mL of boiling ethanol, 100 mL of diethyl ether, and 5.5 mL of glycerol; it is insoluble in benzene, chloroform, and petroleum ether. The pH of a 0.1 mol/L solution is 1.3. It has low toxicity; (rabbit, dermal) is 2000 mg/kg.
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 1.1% (6 of 561) of reports.DangerH302+H312 (12.7%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oralacute toxicity, dermal]P260, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 561 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: Ethanedioic acid, dihydrateEthanedioic acid, dihydrate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanedioic acid, dihydrate 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)Oxalic acid dihydrate: Does not have an individual approval but may be used under an appropriate group standard |
| その他の安全情報 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| 火災危険 | Combustible. Gives off irritating or toxic fumes (or gases) in a fire. |
| 有害性の概要 | Causes burnsIngestion may have effects on calcium balanceRepeated or prolonged exposure may cause kidney stones[ICSC] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungsHarmful by ingestion and skin absorptionMay have teratogenic effectsTargets the kidney, nerves, blood, and eyes[Sigma-Aldrich MSDS] See Oxalic acid. |
| EC 分類 | Symbol: XnR: 21/22S: (2)-24/25 |
| UN 分類 | UN Hazard Class: 8UN Pack Group: III |
| Chemical Dangers | Decomposes on contact with hot surfaces or flames. This produces formic acid and carbon monoxide. The solution in water is a medium strong acid. Reacts violently with strong oxidants. This generates fire and explosion hazard. Reacts with some silver compounds. This produces explosive silver oxalate. Attacks some forms of plastic. |
| Packaging and Labelling | Do not transport with food and feedstuffs. |
| Hazard Classes and Categories | Acute Tox. 4 (98.8%)Acute toxicity - category 4 |
| 消火 | Use water spray, powder, foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water. |
| 応急処置措置 | Fresh air, rest. Half-upright position. Refer immediately for medical attention.Remove contaminated clothes. Rinse skin with plenty of water or shower for at least 15 minutes. Refer for medical attention .Rinse with plenty of water (remove contact lenses if easily possible). Refer immediately for medical attention.Rinse mouth. Do NOT induce vomiting. Refer immediately for medical attention. |
| 安全保管 | Separated from strong oxidants and food and feedstuffs. |
| 漏出処分 | Personal protection: particulate filter respirator adapted to the airborne concentration of the substance, protective gloves and safety goggles. Sweep spilled substance into covered plastic containers. If appropriate, moisten first to prevent dusting. Wash away remainder with plenty of water. |
| Eye Prevention | Wear face shield or eye protection in combination with breathing protection. |
| Fire Prevention | NO open flames. |
| Inhalation Risk | Evaporation at 20 °C is negligiblea harmful concentration of airborne particles can, however, be reached quickly when dispersed. |
| Skin Prevention | Protective gloves. Protective clothing. |
| Exposure Prevention | PREVENT DISPERSION OF DUST! |
| Ingestion Prevention | Do not eat, drink, or smoke during work. Wash hands before eating. |
| Inhalation Prevention | Use ventilation (not if powder), local exhaust or breathing protection. |
| Threshold Limit Values (TLV) | 1.0 [mg/m3]2.0 [mg/m3]1 mg/m |
| Treatment | Acute Exposure: If oxalic acid is swallowed, immediately give the person water or milk, unless instructed otherwise by a health care provider. DO NOT give water or milk if the person is having symptoms (such as vomiting, convulsions, or a decreased level of alertness) that make it hard to swallow. If acute exposure occurs to the eyes, irrigate opened eyes for several minutes under running water. Chronic exposure: in some patients with primary hyperoxaluria type 1, pyridoxine treatment (vitamin B6) may decrease oxalate excretion and prevent kidney stone formation. |
| 健康影響 | Because it binds vital nutrients such as calcium, long-term consumption of foods high in oxalic acid can be problematic. Healthy individuals can safely consume such foods in moderation, but those with kidney disorders, gout, rheumatoid arthritis, or certain forms of chronic vulvar pain (vulvodynia) are typically advised to avoid foods high in oxalic acid or oxalates. The calcium oxalate precipitate (better known as kidney stones) obstruct the kidney tubules. Conversely, calcium supplements taken along with foods high in oxalic acid can cause calcium oxalate to precipitate out in the gut and drastically reduce the levels of oxalate absorbed by the body (by 97% in some cases.) Chronically high levels of oxalic acid are associated with at least 2 inborn errors of metabolism including: Type I primary hyperoxaluria and Primary hyperoxaluria. Oxalate stones in primary hyperoxaluria tend to be severe, resulting in relatively early kidney damage (before age 20), which impairs the excretion of oxalate leading to a further acceleration in accumulation of oxalate in the body. After the development of renal failure patients may develop oxalate deposits in the bones, joints and bone marrow. Severe cases may develop haematological problems such as anaemia and thrombocytopaenia. The deposition of oxalate in the body is sometimes called "oxalosis" to be distinguished from "oxaluria" which refers to oxalate in the urine. |
| 有害作用 | Dermatotoxin - Skin burns. |
| 暴露経路 | The substance can be absorbed into the body by inhalation of its aerosol and by ingestion. Serious local effects by all routes of exposure. |
| 毒性の概要 | The affinity of divalent metal ions is sometimes reflected in their tendency to form insoluble precipitates. Thus in the body, oxalic acid also combines with metals ions such as Ca2+, Fe2+, and Mg2+ to deposit crystals of the corresponding oxalates, which irritate the gut and kidneys. (2) Therefore the toxicity of oxalic acid is due to kidney failure caused by precipitation of solid calcium oxalate, the main component of kidney stones. Oxalic acid can also cause joint pain due to the formation of similar precipitates in the joints. Ingestion of ethylene glycol results in oxalic acid as a metabolite that can also cause acute kidney failure. |
| Signs and Symptoms | Cough. Sore throat. Burning sensation. Shortness of breath. Laboured breathing. Headache.Redness. Pain. Skin burns.Redness. Pain. Blurred vision. Burns.Sore throat. Burning sensation. Abdominal pain. Laboured breathing. Convulsions. Paralysis. Cardiac dysrhythmia. Shock or collapse.Oxalic acid poisoning symptoms include weakness, burning in the mouth, death from cardiovascular collapse, on the respiratory system, throat – burning in the throat, abdominal pain, nausea, vomiting, diarrhea, convulsions, and coma. |
| Carcinogen Classification | No indication of carcinogenicity (not listed by IARC). (L135) |
| 水環境危害等級（WGK） | 1 |
| TSCA 収載状態 | Yes |
| RTECS 番号 | RO2450000 |
| 輸送番号（UN） | UN 3261 8/PG 3 |
| 毒性 | LD50 orally in Rabbit: 375 mg/kg |
| 税関コード | 29171100 |
| 危険文句（R） | 21/22-41 |
| 安衛法 | 57,57-2 |
| 危険表示 | Xn,C |
| 安全措置（S） | 24/25-39-37-36-26 |
| 危険等級 | 8Acute Tox. 4 DermalAcute Tox. 4 OralEye Dam. 1 |
| 包装等級 | III |
| 毒劇物取締法 | III |
| 貯蔵分類 | 11 - Combustible Solids |
用途
解説
しゅう酸二水和物 (Oxalic Acid Dihydrate)とは、C2H2O4·2H2Oで表される有機化合物です。 ジカルボン酸である (Oxalic Acid, C2H2O4) の水和物を指します。CAS番号は6153-56-6です。分子量126.07、融点104〜106℃であり、常温では白色の結晶または結晶性粉末です。水及びに溶けやすく、に溶けにくい化合物です。 しゅう酸は吸湿性があるため、湿気を含んだ空気中に放置することで二水和物の状態になります。また、水溶液からも二水和物が析出します。
用途
汎用試薬、還元剤、漂白剤、化合物の精製。
用途
二酸化硫黄自動分析機中のカラム充填剤。
用途
食品： 水飴ぶどう糖の製造、植物油の精製。 金属処理： 化学研磨?ピックリング(酸洗浄)、車両?船舶洗浄、ラジエーター洗浄(除錆?脱スケール効果)、 ステンレス鋼の冷間引抜用潤滑剤、アルマイト製造、稀土類の精製。 医薬品 ：持続性サルファ剤?シュウ酸セリウム?アミノ酸製剤?α－ケト酸等の製造。 繊維?皮革： 染料?色素の製造、染色用、漂白剤、皮なめし。 環境 ：メッキ混合スラッジの処理、消臭剤(対アミン?アンモニア系物質)、排水処理用脱水機フィルター洗浄。
用途
汎用試薬、還元剤。
使用
Oxalic acid dihydrate is a purifying agent in pharmaceutical industry, special in antibiotic medication, such as Oxytetracycline , Chloramphenicol , etc; * Precipitating agent in Rare-earth mineral processing; * Bleaching agent in the textile activities, wood pulp bleaching; * Rust-remover for Metal treatment; * Grinding agent, such as Marble polishing; * Waste water treatment, removing calcium from water.
一般的な説明
Oxalic acid dihydrate (OAD) crystals are reported to be monoclinic with P21/n space group. The electron density of OAD has been obtained using X-ray diffraction studies under high resolution.
使用用途
しゅう酸二水和物の使用用途として、化学分野では主に試薬、金属表面処理剤、還元剤、医薬品の中間体原料が挙げられます。具体的な使用例は、持続性サルファ剤や、シュウ酸セリウム、アミノ酸製剤、α-ケト酸などの製造です。還元性があるため、還元滴定にも用いることができます。 また、食品添加物としても認められている化合物です。ただし、食品添加物として用いる場合は最終製品からしゅう酸を取り除くことが条件となっています。具体例は、水飴ぶどう糖の製造や、植物油の精製などです。 それ以外の用途には、染料原料や漂白剤などの用途があり、幅広く利用されています。
製法・合成法
純化方法
Crystallise oxalic acid from distilled water. Dry it in a vacuum over H2SO4. The anhydrous acid can be obtained by drying at 100o overnight. [Beilstein 2 IV 1819.]