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メチル(フェニルメチル)ベンゼン
メチル(フェニルメチル)ベンゼン · Benzyltoluol · benzyltoluene · Neo SK-OIL 1300 · Einecs 248-654-8 · Benzyl toluene(Mixture) · 27776-01-8 benzyltoluene · Methyl(phenylmethyl)benzene
識別子と物理属性
| CAS No. | 27776-01-8 |
|---|---|
| 分子式 | C14H14 |
| 平均分子量 | 182.26 g/mol |
| 単同位体質量 | 182.10955045 g/mol |
| SMILES | Cc1ccccc1Cc1ccccc1 |
| InChIKey | PQTAUFTUHHRKSS-UHFFFAOYSA-N |
| PubChem CID | 69738 |
| EC No. | 211-927-7 |
| DTXSID | DTXSID40892047 |
| 現地名 | メチル(フェニルメチル)ベンゼン |
化学・物理的性質
| XLogP | 4.7 |
|---|---|
| 極性表面積 | 0 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 0 |
| 回転可能結合数 | 2 |
| 重原子数 | 14 |
| 形式電荷 | 0 |
| 複雑度 | 155 |
| 物質分類 | Other Classes -> Aromatic Hydrocarbons |
| SpringerMaterials Properties | Density |
| 蒸気圧 | 0.003 [mmHg]0.66-1.33Pa at 20℃ |
| Physical Description | Liquid[IUCLID] Clear liquid with an aromatic odor[Nisseki Chemical Texas MSDS] |
| 融点 | -55 °C |
| 沸点 | 125-128 °C(Press: 7 Torr) |
| 密度 | 0.999[at 20℃] |
| 溶解度 | 3.7-3.97mg/L at 20℃ |
| 安定性 | 安定。可燃性。強力な酸化剤とは相容れない。 |
| InChI | InChI=1S/C14H14/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3 |
| InChIKey | SIYISNUJKMAQBV-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C)C=C1)CC1C=CC=CC=1 |
| LogP（分配係数） | 4.35-4.935 at 20-25℃ |
| EPAの化学物質情報 | Benzyltoluene (27776-01-8) |
化学的特性
colourless to light yellow liquid
安全性と法規制
| GHS 分類 | DangerH304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]P264, P273, P280, P301+P316, P302+P352, P321, P331, P332+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 82 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
|---|---|
| 規制情報 | Chemical: Benzene, methyl(phenylmethyl)-Benzene, methyl(phenylmethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, methyl(phenylmethyl)- 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: 09-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/2131Benzene, methyl(phenylmethyl)-: 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. |
| 有害性の概要 | Contains 2-5% 1,1-diphenylethane (CAS# 612-00-0) and 0-2% diphenylmethane (CAS# 101-81-5)A moderate skin and minor eye irritant in rabbitsNot a skin sensitizer in guinea pigsInhalation overexposure may cause CNS depressionAn aspiration hazard by ingestion (may cause lung damage)[Nisseki Chemical Texas MSDS] See Diphenylmethane. |
| Hazard Classes and Categories | Asp. Tox. 1 (100%)Skin Irrit. 2 (100%) |
| 有害作用 | Neurotoxin - Acute solvent syndrome |
| TSCA 収載状態 | TSCA listed |