Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2,2-디메틸벤조[1,3]디옥솔-4-올
2,2-디메틸벤조[1,3]디옥솔-4-올 · Bendiocarb phenol · 2,2-Dimethyl-1,3-dioxaindan-4-ol · 2,2-dimethyl-1,3-benzodioxol-4-ol · 2,2-dimethylbenzo[1,3]dioxol-4-ol · 1,3-Benzodioxol-4-ol, 2,2-dimethyl- · 2,2-dimethyl-2H-1,3-benzodioxol-4-ol · 2, 2-Dimethyl-4-hydroxy-1,3-benzodioxole
![2,2-디메틸벤조[1,3]디옥솔-4-올 분자 구조식](/img/chemical/62765.png)
식별자 및 물리적 특성
| CAS No. | 22961-82-6 |
|---|---|
| 분자식 | C9H10O3 |
| 평균 분자량 | 166.17 g/mol |
| 단동위원소 질량 | 166.06299418 g/mol |
| SMILES | CC1(C)Oc2cccc(O)c2O1 |
| InChIKey | CSSWBRMYHJVCPZ-UHFFFAOYSA-N |
| PubChem CID | 62765 |
| EC No. | 400-900-7 |
| DTXSID | DTXSID3066845 |
| 현지명 | 2,2-디메틸벤조[1,3]디옥솔-4-올 |
화학 및 물리적 성질
| XLogP | 1.8 |
|---|---|
| 극성 표면적 | 38.7 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 179 |
| Physical Description | Bendiocarb phenol is a white crystalline solid.White solid[CAMEO] |
| Kovats Retention Index | 1277 |
| 녹는점 | 92-93 °C |
| 끓는 점 | 239.6±29.0 °C(Predicted) |
| 밀도 | 1.208±0.06 g/cm3(Predicted) |
| pKa(산도 계수) | 9.61±0.40(Predicted) |
| EPA | Bendiocarb phenol (22961-82-6) |
안전 및 규제
| GHS 분류 | DangerH318: Causes serious eye damage [Danger Serious eye damage/eye irritation]P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement) |
|---|---|
| 규제 정보 | The 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.) |
| 유해성 요약 | See Bendiocarb. |
| 반응성 그룹 | EthersPhenols and Cresols |
| Reactivity Profile | BENDIOCARB PHENOL is a phenol. Compounds in this group do not behave as organic alcohols, as one might guess from the presence of a hydroxyl (-OH) group in their structure. Instead, they react as weak organic acids. Phenols and cresols are much weaker as acids than common carboxylic acids (phenol has pKa = 9.88). These materials are incompatible with strong reducing agents such as hydrides, nitrides, alkali metals, and inorganic sulfides. Flammable gas (H2) is often generated, and the heat of the reaction may ignite the gas. Heat is also generated by the acid-base reaction between phenols and bases. Such heating may initiate polymerization of the organic compound. Phenols are sulfonated very readily (for example, by concentrated sulfuric acid at room temperature). The reactions generate heat. Phenols are also nitrated very rapidly, even by dilute nitric acid. Nitrated phenols often explode when heated. Many of them form metal salts that tend toward detonation by rather mild shock. |
| Air and Water Reactions | Hydrolyzes rapidly in alkaline media and decomposes above 125 °C. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Dam. 1 (100%)STOT SE 3 (100%)Eye damage - category 1 |
| 위험 문구(R) | 41 |
| 위험 표시 | Xi |
| 안전 문구(S) | 24-26-39 |
용도
일반 설명
White crystalline solid.