化工社化工社 化学情報印刷レポート · 研究参考用
tert-ブチルピロカテコール
(tert-ブチル)-1,2-ベンゼンジオール · tert-ブチルピロカテコール · tert-Butylcatechol · tert-butylpyrocatechol · (1,1-dimethylethyl)-2-benzenediol · 2-Benzenediol,(1,1-dimethylethyl)-1 · 1,2-Benzenediol, (1,1-dimethylethyl)-
識別子と物理属性
| CAS No. | 27213-78-1 |
|---|---|
| 分子式 | C10H14O2 |
| 平均分子量 | 166.22 g/mol |
| 単同位体質量 | 166.09937969 g/mol |
| SMILES | CC(C)(C)c1cccc(O)c1O |
| InChIKey | JIGUICYYOYEXFS-UHFFFAOYSA-N |
| PubChem CID | 77643 |
| EC No. | 223-695-4 |
| DTXSID | DTXSID201367483 |
| 現地名 | tert-ブチルピロカテコール |
化学・物理的性質
| XLogP | 2.9 |
|---|---|
| 極性表面積 | 40.5 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 1 |
| 重原子数 | 12 |
| 形式電荷 | 0 |
| 複雑度 | 148 |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| 融点 | 55 °C |
| 沸点 | 160-170 °C(Press: 4-5 Torr) |
| EPAの化学物質情報 | 1,2-Benzenediol, (1,1-dimethylethyl)- (27213-78-1) |
安全性と法規制
| GHS 分類 | DangerH302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 56 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H302: Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| 規制情報 | Chemical: 1,2-Benzenediol, (1,1-dimethylethyl)-1,2-Benzenediol, (1,1-dimethylethyl)-: 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 - tert-butyl catechol: Human health tier II assessment |
| Hazard Classes and Categories | Acute Tox. 4 (28.6%)Acute toxicity (ingestion) - category 4 |
| TSCA 収載状態 | TSCA listed |
| 輸送番号（UN） | 2811 |
| 危険等級 | 6.1(b) |
| 包装等級 | III |