化工社化工社 化学情報印刷レポート · 研究参考用
カントキサール
α-メチル-4-メトキシベンゼンプロピオンアルデヒド · 4-メトキシ-α-メチルベンゼンプロパナール · 3-(4-メトキシフェニル)-2-メチルプロパナール · カントキサール · 2-メチル-3-(p-メトキシフェニル)プロパナール · フォリアベール · 2-(4-メトキシベンジル)プロパナール · 2-メチル-3-(4-メトキシフェニル)プロパナール
識別子と物理属性
| CAS No. | 5462-06-6 |
|---|---|
| 分子式 | C11H14O2 |
| 平均分子量 | 178.23 g/mol |
| 単同位体質量 | 178.09937969 g/mol |
| SMILES | COc1ccc(CC(C)C=O)cc1 |
| InChIKey | VLFBSPUPYFTTNF-UHFFFAOYSA-N |
| PubChem CID | 64813 |
| EC No. | 226-749-5 |
| DTXSID | DTXSID6044567 |
| 現地名 | カントキサール |
化学・物理的性質
| XLogP | 2.2 |
|---|---|
| 極性表面積 | 26.3 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 4 |
| 重原子数 | 13 |
| 形式電荷 | 0 |
| 複雑度 | 148 |
| 沸点 | 270.46°C (rough estimate) |
| 密度 | 1.0292 (rough estimate) |
| 蒸気圧 | 0.3Pa at 24℃ |
| 屈折率 | 1.5103 (estimate) |
| 臭い | 100.00%で。スイートアニス バジル フェンネル ラズベリー グリーン |
| においのタイプ | アニス系 |
| 溶解度 | 1.086g/L at 24℃ |
| 化粧品成分の機能 | 香料 |
| LogP（分配係数） | 2.3 at 25℃ |
| EPAの化学物質情報 | Benzenepropanal, 4-methoxy-.alpha.-methyl- (5462-06-6) |
化学的特性
2-METHYL-3-(PARA-METHOXY PHENYL)-PROPANA is a pale yellow liquid with licorice, anise note with slight fruity modification. It can be prepared by condensation of anisaldehyde with propanal and selective hydrogenation of the resulting 2-methyl-3-(4-methoxyphenyl)-2-propenal. It fits well with floral notes and is used in fine fragrances and cosmetics.
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 0.2% (3 of 1748) of reports.WarningH317 (99.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (73.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H412 (87.9%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1748 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 3 of 1748 reports by companies.There are 6 notifications provided by 1745 of 1748 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 規制情報 | Chemical: Benzenepropanal, 4-methoxy-.alpha.-methyl-Status: Active Update: 04-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/194983-(4-Methoxyphenyl)-2-methylpropanal: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Sens. 1 (99.8%)Eye Irrit. 2 (73.8%)Aquatic Chronic 3 (87.9%) |
| TSCA 収載状態 | TSCA listed |
| 化審法 | 新規公示化学物質（2011年3月31日以前届出） |