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メチルテトラヒドロフタル酸 無水物
メチル-5-シクロヘキセン-2,3-ジカルボン酸無水物 · メチル-1,2,3,6-テトラヒドロフタル酸無水物 · メチルテトラヒドロ無水フタル酸 · メチル-4-シクロヘキセン-1,2-ジカルボン酸無水物 · 4メチル-δ-テトラヒドロフタル酸水物 · メチルテトラヒドロフタル酸 無水物 · メチルシクロヘキセン-1,2-ジカルボン酸 無水物 · １,２,３,６-テトラヒドロメチル無水フタル酸
識別子と物理属性
| CAS No. | 26590-20-5 |
|---|---|
| 分子式 | C9H10O3 |
| 平均分子量 | 166.17 g/mol |
| 単同位体質量 | 166.06299418 g/mol |
| SMILES | CC12CC=CCC1C(=O)OC2=O |
| InChIKey | SOOZEQGBHHIHEF-UHFFFAOYSA-N |
| PubChem CID | 198243 |
| ChEBI | CHEBI:55466 |
| EC No. | 247-830-1 |
| DTXSID | DTXSID40962532 |
| 現地名 | メチルテトラヒドロフタル酸 無水物 |
化学・物理的性質
| XLogP | 1.1 |
|---|---|
| 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 | 0 |
| 重原子数 | 12 |
| 形式電荷 | 0 |
| 複雑度 | 279 |
| Polymers | Plastics & Rubber -> Acid Anhydrides, Cyclic |
| 密度 | 1.20 @25 °C1.1708 (rough estimate) |
| 引火点 | 350 °C |
| 沸点 | 124 °C254.38°C (rough estimate) |
| 融点 | -29 °C63-64 °C |
| Physical Description | Liquid[ICSC]OILY LIQUID. |
| 屈折率 | 1.5500 (estimate) |
| 貯蔵条件 | -20°C Freezer |
| 溶解度 | DMSO（微量）、メタノール（微量） |
| 外観・状態 | 個体 |
| 色 | 白い |
| InChI | InChI=1S/C9H10O3/c1-9-5-3-2-4-6(9)7(10)12-8(9)11/h3,5-6H,2,4H2,1H3 |
| InChIKey | CSHJJWDAZSZQBT-UHFFFAOYSA-N |
| SMILES | C1(OC(=O)C2CCC=CC12C)=O |
| CAS データベース | 26590-20-5(CAS DataBase Reference) |
| NISTの化学物質情報 | Methyltetrahydrophthalic anhydride(26590-20-5) |
| EPAの化学物質情報 | 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydromethyl- (26590-20-5) |
化学的特性
light yellow liquid,colorless liquid
安全性と法規制
| GHS 分類 | DangerH317: May cause an allergic skin reaction [Warning Sensitization, Skin]P233, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P354+P338, P317, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement) |
|---|---|
| 規制情報 | Chemical: 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydromethyl-Hazard Traits - Respiratory Toxicity1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydromethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| その他の安全情報 | IMAP assessments - Tetrahydrophthalic anhydrides and analogues: Human health tier II assessment |
| 火災危険 | Combustible. |
| 有害性の概要 | Occupational asthma reported in workers curing epoxy resins[Malo] [Tarvainen K, et al. Immunologic contact urticaria due to airborne methylhexahydrophthalic and methyltetrahydrophthalic anhydrides. Contact Dermatitis. 1995 Apr32(4):204-9.] Prolonged or repeated exposure may cause asthma and contact urticaria[ICSC] Causes asthma, rhinitis, allergic conjunctivitis, and rarely, allergic urticariaA surface limit (TLV-SL) of 0.7 mg/100 cm2 is recommended to protect against induction of respiratory sensitization from skin contact with workplace surfaces. [ACGIH] See ACID ANHYDRIDES. |
| EC 分類 | Symbol: XnR: 41-42/43S: (2)-22-24-26-37/39Note: C |
| Hazard Classes and Categories | Skin Sens. 1 (100%)Eye damage - category 1Eye Dam. 1 |
| 消火 | In case of fire in the surroundings, use appropriate extinguishing media. |
| 応急処置措置 | Fresh air, rest.Remove contaminated clothes. Rinse and then wash skin with water and soap. Refer for medical attention if skin irritation occurs.Rinse with plenty of water (remove contact lenses if easily possible).Rinse mouth. |
| 漏出処分 | Personal protection: chemical protection suit including self-contained breathing apparatus. Collect leaking liquid in covered containers. |
| Eye Prevention | Wear face shield or eye protection in combination with breathing protection. |
| Fire Prevention | NO open flames. |
| Skin Prevention | Protective gloves. Protective clothing. |
| Exposure Prevention | AVOID ALL CONTACT! |
| Ingestion Prevention | Do not eat, drink, or smoke during work. |
| Inhalation Prevention | Use ventilation, local exhaust or breathing protection. |
| Threshold Limit Values (TLV) | 0.00007 [ppm], (TLV-SL = 0.7 mg/100 cm2)0.0003 [ppm]0.00007 ppm as TWA700 μg/100 cm |
| Effects of Long Term Exposure | Repeated or prolonged inhalation may cause asthma. The substance may have effects on the skin. This may result in contact urticaria. |
| Protective Action Criteria (PAC) | 0.075 [mg/m3]83 [mg/m3]500 [mg/m3] |
| 有害作用 | Asthma - Reversible bronchoconstriction (narrowing of bronchioles) initiated by the inhalation of irritating or allergenic agents. |
| 暴露経路 | The substance can be absorbed into the body by inhalation. |
| Signs and Symptoms | Cough.Redness. |
| TSCA 収載状態 | TSCA listed |