化工社化工社 化学情報印刷レポート · 研究参考用
2-sec-ブチルシクロヘキサノン
2-sec-ブチルシクロヘキサノン · 2-(1-メチルプロピル)シクロヘキサノン · 2-sec-ブチルシクロヘキサノン (異性体混合物) · 2-(SEC-ブチル)シクロヘキサノン · 2-sec-ブチルシクロヘキサノン, 99% · FRESKOMENTHE · FEMA 3261 · FRESCOMENTHE
識別子と物理属性
| CAS No. | 14765-30-1 |
|---|---|
| 分子式 | C10H18O |
| 平均分子量 | 154.25 g/mol |
| 単同位体質量 | 154.1357652 g/mol |
| SMILES | CCC(C)C1CCCCC1=O |
| InChIKey | RQXTZKGDMNIWJF-UHFFFAOYSA-N |
| PubChem CID | 61771 |
| EC No. | 238-830-2 |
| DTXSID | DTXSID4041818 |
| 現地名 | 2-sec-ブチルシクロヘキサノン |
化学・物理的性質
| XLogP | 2.8 |
|---|---|
| 極性表面積 | 17.1 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 1 |
| 回転可能結合数 | 2 |
| 重原子数 | 11 |
| 形式電荷 | 0 |
| 複雑度 | 140 |
| 香料 | Fragrance Ingredient (2-sec-Butylcyclohexanone) -> IFRA transparency List |
| 食品添加物 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 密度 | 0.911-0.9170.912 g/mL at 25 °C(lit.) |
| 香味料 | EU Flavoring substances |
| 溶解度 | 566 mg/L @ 20 °C (exp)insoluble in watermiscible with most oilsMiscible at room temperature (in ethanol)577mg/L at 20℃ |
| 沸点 | 76.00 to 78.00 °C. @ 8.00 mm Hg76-78 °C76-78 °C8 mm Hg(lit.) |
| 屈折率 | 1.454-1.461n20/D 1.458(lit.) |
| Physical Description | LiquidColourless, viscous liquid, solidifies to an opaque masswoody camphoraceous somewhat musty odour |
| 融点 | 27.18°C (estimate) |
| 蒸気圧 | 5.52hPa at 20℃ |
| FEMA | 3261 | 2-SEC-BUTYLCYCLOHEXANONE |
| 引火点 | 181 °F |
| 外観・状態 | clear liquid |
| 色 | Colorless to Light yellow to Light orange |
| 臭い | 100.00%で。フレッシュミント ペパーミント ウッディカンファー |
| においのタイプ | メンソリック |
| JECFA Number | 1109 |
| BRN | 1859137 |
| 化粧品成分の機能 | 香料 |
| LogP（分配係数） | 3.2 at 35℃ |
| EPAの化学物質情報 | Cyclohexanone, 2-(1-methylpropyl)- (14765-30-1) |
化学的特性
2-sec-Butylcyclohexanone has a woody, camphoraceous, somewhat musty odor.
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 96% (1531 of 1595) of all reports.Not ClassifiedAggregated GHS information provided per 1595 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| 規制情報 | Chemical: Cyclohexanone, 2-(1-methylpropyl)-Regulation (EC) No 1334/2008 (amended)Cyclohexanone, 2-(1-methylpropyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanone, 2-(1-methylpropyl)- 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: 28-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/222562-sec-butylcyclohexan-1-one: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Not Classified |
| 水環境危害等級（WGK） | 2 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | GW1804000 |
| 毒性 | rabbit,LD50,skin,> 5gm/kg (5000mg/kg),Food and Chemical Toxicology. Vol. 30, Pg. 11S, 1992. |
| 税関コード | 29142990 |
| 化審法 | (3)-2411 |
| 消防法 | 危-4-3-III |
| 安全措置（S） | 24/25 |
製法・合成法
製造方法
By hydrogenation of o-sec-butyl phenol in the presence of palladium catalyst; by hydrogenation of 2-sec-butylidene cyclohexanone.