基本情報
- CAS
2146-71-6- 標準SMILES
C=COC(=O)CCCCCCCCCCC- InChIKey
GLVVKKSPKXTQRB-UHFFFAOYSA-N- 分子式
- C14H26O2
- 平均分子量
- 226.35 g/mol
- 単同位体質量
- 226.19328007
概要
vinyl laurate has been reported in Pilocarpus jaborandi with data available.
名称と識別子
- 優先名称
- Vinyl laurate
- IUPAC
- ethenyl dodecanoate
- 現地名
- ラウリン酸ビニル
- 英語名
- VINYL LAURATE
- 分子式
- C14H26O2
- 分子量
- 226.35
名称と別名
名称をさらに表示
データベース識別子
- CAS
2146-71-6- PubChem CID
- 75069
- DTXSID
DTXSID7074953- UNII
- CP59R9UN62
- EC Number
- 218-414-7
- Nikkaji
- J42.302E
物性
構造計算による物性
- XLogP
- 5.8
- 極性表面積
- 26.3 Ų
- 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
- 12
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 176
物理化学的性質
- 融点
- 7 ℃ · 7℃
- 沸点
- 254 °C/1013 · 254 °C/1013 hPa (lit.)
- 比重(密度)
- 0.871 g/mL · 0.871 g/mL at 20 °C (lit.)
- 蒸気圧
- 0.28 Pa · 0.28Pa at 24.85℃
- 屈折率
- 20 · n20/D 1.441
- 闪点
- 136 °C · 136 °C
- 溶解性
- 2 O: · H2O: わずかに溶ける1g/L at 20°C
- 外見
- clear liquid
- 色
- Colorless to Light yellow
- 水溶解度
- 2 O: · H2O: slightly soluble 1g/L at20°C
- BRN
- 1778369 · 1778369
- InChI
- 1S/C14H26O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h4H,2-3,5-13H2,1H3
- InChIKey
- GLVVKKSPKXTQRB-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCC(=O)OC=C
- LogP
- 5.92 at · 5.92 at 20℃
- CAS データベース
- 2146 · 2146-71-6(CAS DataBase Reference)
- EPAの化学物質情報
- Dodecanoic acid, ethenyl ester (2146-71-6)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (107 of 107) of all reports.
Not Classified
Aggregated GHS information provided per 107 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 10-09-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/1546
安全データ
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29159000
- 化審法
- (2)-3309
- 消防法
- 危-4-3-III
- safety_code
- 23-24/25
- ストレージクラス
- 10 - Combustible liquids
化学と産業
用途と製造
応用分野
使用Vinyl laurate was used in the synthesis of laurate and stearate esters of corn starch. It was used as the acyl donor during synthesis of sucrose laurate esters catalyzed by Bacillus pseudofirmus AL-89 . Vinyl laurate was also used in the preparation of chirally deuterated benzyl chlorides.
一般的な説明Vinyl laurate is a clear, colorless to light yellow colored liquid. The flash point is 125°C. It forms aqueous colloidal microgel by copolymerization with N-isopropylacrylamide. The enzymatic acylation of Avicel cellulose with vinyl laurate, a solvent free reaction system, was studied.
調製方法
製造方法A method for the preparation of vinyl laurate: In a 500-ml round-bottomed three-necked flask fitted with a thermometer, a reflux condenser and a gas inlet tube through which a stream of nitrogen is passed, place 206 g (2.4 moles) of freshly distilled vinyl acetate and 80 g (0.4 moles) of lauric acid. The lauric acid is dissolved by heating, and 1.6 g of mercuric acetate is added. The mixture is shaken by hand for approximately 30 minutes, and 0.15 ml of 100% sulphuric acid is added dropwise. The solution is heated under reflux for 3 hours, then 0.83 g of sodium acetate trihydrate is added to neutralise the sulphuric acid. The excess vinyl acetate is recovered by distillation at atmospheric pressure (vapour temperature approximately 70–80°C) until the pot temperature reaches 125°C. The distillation is completed at a pressure of 10 mm Hg or lower; after collecting a small amount of low-boiling-point material, redistillation yields 48–53 g (53–59%) of pure vinyl laurate.
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