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(+)-8-Phenylmenthol
(+)-8-Phenylmenthol · 5-Methyl-2-(2-phenylpropan-2-yl)cyclohexanol · Cyclohexanol, 5-methyl-2-(1-methyl-1-phenylethyl)-, (1S,2R,5S)-
識別子と物理属性
| CAS No. | 57707-91-2 |
|---|---|
| 分子式 | C16H24O |
| 平均分子量 | 232.36 g/mol |
| SMILES | CC1CCC(C(C)(C)c2ccccc2)C(O)C1 |
| InChIKey | WTQIZFCJMGWUGZ-QEJZJMRPSA-N |
| PubChem CID | 577105 |
| EC No. | 634-672-7 |
化学・物理的性質
| XLogP | 4.5 |
|---|---|
| 極性表面積 | 20.2 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 1 |
| 回転可能結合数 | 2 |
| 重原子数 | 17 |
| 形式電荷 | 0 |
| 複雑度 | 240 |
| 沸点 | 82-83 °C(Press: 0.01 Torr) |
| 密度 | 0.999 g/mL at 20 °C (lit.) |
| 屈折率 | n20/D 1.531 |
| 貯蔵条件 | 2-8°C |
| 外観・状態 | liquid |
| pKa（酸解離定数） | 15.214±0.60(predicted) |
| BRN | 5265529 |
| InChI | 1S/C16H24O/c1-12-9-10-14(15(17)11-12)16(2,3)13-7-5-4-6-8-13/h4-8,12,14-15,17H,9-11H2,1-3H3/t12-,14-,15-/m0/s1 |
| InChIKey | WTQIZFCJMGWUGZ-QEJZJMRPSA-N |
| SMILES | C[C@H]1CC[C@@H]([C@@H](O)C1)C(C)(C)c2ccccc2 |
安全性と法規制
| GHS 分類 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 3-8-10 |
| 水環境危害等級（WGK） | 3 |
| 危険文句（R） | 36/37/38 |
| 危険表示 | Xi |
| 安全措置（S） | 26-36 |
| 貯蔵分類 | 12 - Non Combustible Liquids |
製法・合成法
純化方法
Dissolve the menthol in toluene, dry (Na2SO4), evaporate and chromatograph it on a silica gel column and eluting with 5% Et2O in pet ether to give an oil with the desired rotation. IR has max 3420cm-1 (OH) with consistent 1H NMR [Corey & Ensley J Org Chem 43 1610 1978, Whitesell et al. Tetrahedron 42 2993 1986, Bednarski & Danishefsky J Am Chem Soc 108 7060 1986].