乙酸辛酯
化合物
乙酸辛酯(英語:Octyl acetate)是一种乙酸酯,化学式CH3COO(CH2)7CH3,可由1-辛醇和乙酸通过Fischer酯化反应合成[6][8][7]。在橙、葡萄柚等柑橘属中含有乙酸辛酯[10]。
乙酸辛酯 | |
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IUPAC名 Octyl ethanoate | |
别名 | Octyl acetate n-Octyl acetate |
识别 | |
CAS号 | 112-14-1 ![]() |
PubChem | 8164 |
ChemSpider | 7872 |
SMILES |
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InChI |
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InChIKey | YLYBTZIQSIBWLI-UHFFFAOYAX |
ChEBI | 87495 |
RTECS | AJ1400000 |
性质 | |
化学式 | C10H20O2 |
摩尔质量 | 172.26 g·mol−1 |
外观 | Colorless liquid |
氣味 | Fruity, slightly waxy floral odor |
密度 | 0.863–0.87 g/cm3[1][2] |
熔点 | -38.5--38 °C(273 K) |
沸点 | 203-211.3 °C(265 K) |
溶解性(水) | 0.021 g/100 g (0 °C) 0.018 g/100 g (29.7 °C) 0.018 g/100 g (40 °C) 0.012 g/100 g (92.1 °C)[3] |
溶解性 | Soluble in EtOH, ether |
蒸氣壓 | 0.01 kPa (−3 °C) 0.0072–0.0073 (14.75 °C) 0.02–0.1 kPa (27 °C)[4] 1 kPa (66.3 °C) 10 kPa (120 °C)[5] |
折光度n D |
1.415–1.422 (20 °C)[4] |
热力学 | |
热容 | 331–343.74 J/mol·K[6] |
危险性 | |
NFPA 704 | |
爆炸極限 | 0.76–8.14%[7][8] |
致死量或浓度: | |
LD50(中位剂量)
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3000 mg/kg (oral, rat)[9] 5000 mg/kg (dermal, rabbit)[9] |
若非注明,所有数据均出自标准状态(25 ℃,100 kPa)下。 |
![](http://images.weserv.nl/?url=//upload.wikimedia.org/wikipedia/commons/thumb/e/e9/Octyl_acetate.jpg/120px-Octyl_acetate.jpg)
参考文献
- ^ Record in the GESTIS Substance Database from the IFA
- ^ Yaws, Carl L. Thermophysical Properties of Chemicals and Hydrocarbons. New York: William Andrew, Inc. 2008 [2020-04-23]. ISBN 978-0-8155-1596-8. LCCN 2008020146. (原始内容存档于2009-03-02).
- ^ Stephenson, Richard M. Mutual Solubilities: Water-Ketones, Water-Ethers, and Water-Gasoline-Alcohols. Journal of Chemical & Engineering Data. 1992, 37 (1): 80–95. doi:10.1021/je00005a024.
- ^ 4.0 4.1 Octyl acetate. http://chemdats.blogspot.com. 2014-11-04 [2014-11-15]. (原始内容存档于2014-12-25). 外部链接存在于
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(帮助) - ^ Lide, David R. (编). CRC Handbook of Chemistry and Physics 90th. Boca Raton, Florida: CRC Press. 2009. ISBN 978-1-4200-9084-0 (英语).
- ^ 6.0 6.1 Acetic acid, octyl ester in Linstrom, Peter J.; Mallard, William G. (eds.); NIST Chemistry WebBook, NIST Standard Reference Database Number 69, National Institute of Standards and Technology, Gaithersburg (MD), http://webbook.nist.gov (retrieved 2014-11-22)
- ^ 7.0 7.1 MSDS of Octyl acetate. http://www.fishersci.ca. Fisher Scientific. [2014-09-15]. (原始内容存档于2014-11-29). 外部链接存在于
|website=
(帮助) - ^ 8.0 8.1 来源:Sigma-Aldrich Co., Octyl acetate (2014-11-15查阅).
- ^ 9.0 9.1 Fragrance raw materials monographs. Food and Cosmetics Toxicology. 1974, 12 (7–8): 815–816. doi:10.1016/0015-6264(74)90132-1.
- ^ Fahlbusch, Karl-Georg; Hammerschmidt, Franz-Josef; Panten, Johannes; Pickenhagen, Wilhelm; Schatkowski, Dietmar; Bauer, Kurt; Garbe, Dorothea; Surburg, Horst. Flavors and Fragrances. Ullmann's Encyclopedia of Industrial Chemistry. 2003. ISBN 978-3-527-30673-2. doi:10.1002/14356007.a11_141.
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