乙酸辛酯

化合物

乙酸辛酯(英语:Octyl acetate)是一种乙酸酯化学式CH3COO(CH2)7CH3,可由1-辛醇乙酸通过Fischer酯化反应合成[6][8][7]。在葡萄柚柑橘属中含有乙酸辛酯[10]

乙酸辛酯
IUPAC名
Octyl ethanoate
别名 Octyl acetate
n-Octyl acetate
识别
CAS号 112-14-1  checkY
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
气味 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 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
蒸气压 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
2
1
0
 
爆炸极限 0.76–8.14%[7][8]
致死量或浓度:
LD50中位剂量
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。
乙酸辛酯常温下为无色透明液体

参考文献

编辑
  1. ^ Record in the GESTIS Substance Database from the IFA英语Institute for Occupational Safety and Health
  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. 
  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)
  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). 
  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)
  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)
  8. ^ 8.0 8.1 来源:Sigma-Aldrich Co., Octyl acetate (2014-11-15查阅).
  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. 
  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.