化工社化工社 化学情報印刷レポート · 研究参考用
2-ヘキシル-1-デカノール
2-ヘキシルデカン-1-オール · 2-ヘキシル-1-デカノール · 2-ヘキシルデシルアルコール · 1-Decanol, 2-hexyl- · 2-Hexyl-decan-1-ol · Isofol 16 · 2-hexyl-1-decano · EA489
識別子と物理属性
| CAS No. | 2425-77-6 |
|---|---|
| 分子式 | C16H34O |
| 平均分子量 | 242.44 g/mol |
| 単同位体質量 | 242.26096571 g/mol |
| SMILES | CCCCCCCCC(CO)CCCCCC |
| InChIKey | XULHFMYCBKQGEE-UHFFFAOYSA-N |
| PubChem CID | 95337 |
| ChEMBL | CHEMBL3560208 |
| ChEBI | CHEBI:183266 |
| EC No. | 219-370-1 |
| DTXSID | DTXSID1041265 |
| 現地名 | 2-ヘキシル-1-デカノール |
化学・物理的性質
| XLogP | 7 |
|---|---|
| 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 | 13 |
| 重原子数 | 17 |
| 形式電荷 | 0 |
| 複雑度 | 133 |
| Polymers | Other Classes -> Alcohols and Polyols, Other |
| 化粧品 | Skin conditioningHumectantSolvent |
| 香料 | Fragrance Ingredient (1-_Decanol, 2-_hexyl-) -> IFRA transparency List |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Physical Description | LiquidColorless oily liquid with a mild sweet odor[Sasol MSDS] |
| 融点 | -21--15 °C (lit.) |
| 沸点 | 193-197 °C/33 mmHg (lit.) |
| 密度 | 0.836 g/mL at 25 °C (lit.) |
| 蒸気圧 | 0.4Pa at 148.85℃ |
| 屈折率 | n20/D 1.449(lit.) |
| 引火点 | 113 °C |
| 貯蔵条件 | Refrigerator |
| 溶解度 | ベンゼン（少々）、クロロホルム（少々）、メタノール（少々） |
| pKa（酸解離定数） | 15.08±0.10(Predicted) |
| 外観・状態 | 油 |
| 色 | 無色透明 |
| 化粧品成分の機能 | スキンコンディショニング皮膚コンディショニング剤 - 保湿剤 |
| InChI | 1S/C16H34O/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16-17H,3-15H2,1-2H3 |
| InChIKey | XULHFMYCBKQGEE-UHFFFAOYSA-N |
| SMILES | CCCCCCCCC(CO)CCCCCC |
| LogP（分配係数） | 6.66 at 20℃ |
| NISTの化学物質情報 | 1-Decanol, 2-hexyl-(2425-77-6) |
| EPAの化学物質情報 | 1-Decanol, 2-hexyl- (2425-77-6) |
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 99.4% (351 of 353) of all reports.Not ClassifiedAggregated GHS information provided per 353 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| 規制情報 | Chemical: 1-Decanol, 2-hexyl-1-Decanol, 2-hexyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Decanol, 2-hexyl- 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)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 08-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/55851-Decanol, 2-hexyl-: Does not have an individual approval but may be used under an appropriate group standard |
| 有害性の概要 | An eye, nose, and throat irritantInhalation may cause dizziness and headache[Sasol MSDS] |
| Hazard Classes and Categories | Not Classified |
| 水環境危害等級（WGK） | nwg |
| TSCA 収載状態 | TSCA listed |
| 税関コード | 2905.19.9090 |
| 化審法 | (2)-217 |
| 消防法 | 危-4-3-III |
| 貯蔵分類 | 10 - Combustible liquids |
用途
使用
2-Hexyl-1-decanol may be employed as an organic solvent to study the extraction of non-polar acidic drugs from human plasma by parallel artificial liquid membrane extraction (PALME).
一般的な説明
2-Hexyl-1-decanol is a branched alcohol. It is one of the constituent of the essential oil, extracted from the roots of Adiantum flabellulatum. It is a long-chain glass forming monohydroxy alcohol and its dielectric relaxation at low temperature has been studied.