乙酸辛酯

乙酸辛酯
	IUPAC名; Octyl ethanoate
别名	Octyl acetate; n-Octyl acetate
识别
CAS号	112-14-1
PubChem	8164
ChemSpider	7872
SMILES	O=C(OCCCCCCCC)C;
InChI	1/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3;
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
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)
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); 1 kPa (66.3 °C); 10 kPa (120 °C)
折光度n; D	1.415–1.422 (20 °C)
热力学
热容	331–343.74 J/mol·K
危险性
NFPA 704	2 1 0
爆炸極限	0.76–8.14%
	致死量或浓度：
LD50（中位剂量）	3000 mg/kg (oral, rat); 5000 mg/kg (dermal, rabbit)
	若非注明，所有数据均出自标准状态（25 ℃，100 kPa）下。

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]。

参考文献

^ Record in the GESTIS Substance Database from the IFA（英语：Institute for Occupational Safety and Health）
^ 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|website= (帮助)
^ Lide, David R. (编). CRC Handbook of Chemistry and Physics 90th. Boca Raton, Florida: CRC Press（英语：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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[GESTIS-1] Record in the GESTIS Substance Database from the IFA（英语：Institute for Occupational Safety and Health）

[tpocah-2] 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）.

[3] 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.

[chemdats-4] 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|website= (帮助)

[crc-5] Lide, David R. (编). CRC Handbook of Chemistry and Physics 90th. Boca Raton, Florida: CRC Press（英语：CRC Press）. 2009. ISBN 978-1-4200-9084-0 （英语）.

[nist-6] 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)

[fca-7] 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)

[sigma-8] 8.0 ^8.1 来源：Sigma-Aldrich Co., Octyl acetate （2014-11-15查阅）.

[FCT-9] 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.

[Ullmann-10] 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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