ラウロニトリル
ラウロニトリル · シアン化ウンデシル · ウンデシルシアニド · ラウリン酸ニトリル · ドデカンニトリル · ラウリルニトリル · CLONAL · DODECYLNITRILE
識別子と物理属性
| CAS No. | 2437-25-4 |
|---|---|
| 分子式 | C12H23N |
| 平均分子量 | 181.32 g/mol |
| 単同位体質量 | 181.18304974 g/mol |
| SMILES | CCCCCCCCCCCC#N |
| InChIKey | VXCUURYYWGCLIH-UHFFFAOYSA-N |
| PubChem CID | 17092 |
| ChEMBL | CHEMBL1879602 |
| ChEBI | CHEBI:189391 |
| EC No. | 219-440-1 |
| DTXSID | DTXSID1022188 |
| 現地名 | ラウロニトリル |
化学・物理的性質
| XLogP | 4.7 |
|---|---|
| 極性表面積 | 23.8 |
| 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 | 9 |
| 重原子数 | 13 |
| 形式電荷 | 0 |
| 複雑度 | 131 |
| 脂質 | Fatty Acyls [FA] -> Fatty nitriles [FA09] |
| SpringerMaterials Properties | Boiling point |
| 香料 | Fragrance Ingredient (Dodecanenitrile) -> IFRA transparency List |
| Physical Description | Liquid |
| 融点 | 4°C |
| 沸点 | 198 °C100 mm Hg(lit.) |
| 密度 | 0.827 g/mL at 25 °C(lit.) |
| 蒸気圧 | 13.332hPa at 140.47℃ |
| 屈折率 | n20/D 1.436(lit.) |
| 引火点 | >230 °F |
| 貯蔵条件 | Store below +30°C. |
| 外観・状態 | clear liquid |
| 比重 | 0.83 |
| 色 | Colorless to Light yellow to Light orange |
| 臭い | ジプロピレングリコール中10.00%。ドライシトラスオレンジピールメタリックスパイシー |
| においのタイプ | 柑橘類 |
| 溶解度 | 水に不溶。 |
| BRN | 970348 |
| 誘電率 | 10.109999999999999 |
| 化粧品成分の機能 | 香料 |
| InChI | 1S/C12H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-11H2,1H3 |
| InChIKey | VXCUURYYWGCLIH-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCC#N |
| LogP（分配係数） | 4.77 |
| CAS データベース | 2437-25-4(CAS DataBase Reference) |
| NISTの化学物質情報 | Dodecanenitrile(2437-25-4) |
| EPAの化学物質情報 | Dodecanenitrile (2437-25-4) |
化学的特性
CLEAR YELLOW LIQUID
安全性と法規制
| GHS 分類 | WarningH315 (86.3%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1736 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: DodecanenitrileDodecanenitrile is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Dodecanenitrile 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: 30-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20698Dodecanenitrile: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (86.3%) |
| 水環境危害等級（WGK） | 2 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | JR2600000 |
| 輸送番号（UN） | UN 3276 6.1/PG 3 |
| 税関コード | 29269095 |
| 危険文句（R） | 20/21/22 |
| 化審法 | (2)-1507 |
| 消防法 | 危-4-3-III |
| 危険表示 | Xn |
| 安全措置（S） | 36-36/37 |
| 危険等級 | 9Aquatic Acute 1Aquatic Chronic 2Skin Irrit. 2 |
| 貯蔵分類 | 10 - Combustible liquids |
用途
用途
有機合成原料。
一般的な説明
It is common practise to name the Nitrile by the name of the acid which can be formed by acid hydrolysis of the Nitrile. The Nitriie with 12 Carbon atoms (total) will, therefore, be a DODECANOIC NITRILE or LAURIC NITRILE. It has ken suggested for use in perfume compositions as a powerful fragrance-diffusing agent in soap perfumes, and as a modifier in topnotc compositions where aldchydes, woodnotes or green notes are predominant. However, it does not perform like Dodecanal (Aldehyde C-12) and should not be considered as a replacement for that aldehyde. Dodecanenitrile is produced (many methods) e. g.: from Undecyl bromide and Potassium cyanide.