2-Octanol, acetate

• Formula: C₁₀H₂₀O₂
• Molecular weight: 172.2646
• IUPAC Standard InChI: InChI=1S/C10H20O2/c1-4-5-6-7-8-9(2)12-10(3)11/h9H,4-8H2,1-3H3 Copy

  
• IUPAC Standard InChIKey: SJFUDWKNZGXSLV-UHFFFAOYSA-N Copy
• CAS Registry Number: 2051-50-5
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: 1-Methylheptyl acetate; 2-Octyl acetate; 2-Acetoxyoctane; Sec-octyl acetate; Capryl acetate; NSC 65620; Acetic acid, oct-2-yl ester
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• Information on this page:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • IR Spectrum
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Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

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Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Normal alkane RI, non-polar column, temperature ramp

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Normal alkane RI, polar column, temperature ramp

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Normal alkane RI, polar column, custom temperature program

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References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Singliar, 1972
Singliar, M., Chromatographic Behaviour and the Structure of Secondary Aliphatic Alcohols, J. Chromatogr., 1972, 65, 1, 311-321, https://doi.org/10.1016/S0021-9673(00)86946-0 . [all data]

Zarazir, Chovin, et al., 1970
Zarazir, D.; Chovin, P.; Guiochon, G., Identification of hydroxylic compounds and their derivatives by gas chromatography, Chromatographia, 1970, 3, 4, 180-195, https://doi.org/10.1007/BF02269018 . [all data]

Zaikin, 2010
Zaikin, V.G., Personal communication: Retention indices measured during 2010, 2010. [all data]

Mierendorff, Stahl-Biskup, et al., 2008
Mierendorff, H.-G.; Stahl-Biskup, E.; Posthumus, M.A.; van Beek, T.A., Composition of commercial Cape chamomile oil (Eriocephalus punctuatus / Eriocephalus tenuifolius), 2008, retrieved from http://www.chemische-analysen-hamburg.de/Publikationen?Cape_Chamomile_Oil/. [all data]

Mierendorff, Stahl-Biskup, et al., 2003
Mierendorff, H.-G.; Stahl-Biskup, E.; Posthumus, M.A.; van Beek, T.A., Composition of commercial Cape chamomile oil (Eriocephalus punctulatus), Flavour Fragr. J., 2003, 18, 6, 510-514, https://doi.org/10.1002/ffj.1259 . [all data]

Nishimura, 1995
Nishimura, O., Identification of the characteristic odorants in fresh rhizomes of ginger (Zingiber officinale Roscoe) using aroma extract dilution analysis and modified multidimensional gas chromatography-mass spectroscopy, J. Agric. Food Chem., 1995, 43, 11, 2941-2945, https://doi.org/10.1021/jf00059a031 . [all data]

Yaacob, Abdullah, et al., 1989
Yaacob, K.B.; Abdullah, C.M.; Joulain, D., Essential Oil of Ruta graveolens L., J. Essent. Oil Res., 1989, 1, 5, 203-207, https://doi.org/10.1080/10412905.1989.9697787 . [all data]

Fredj, Marzouk, et al., 2007
Fredj, M.B.H.; Marzouk, B.; Chraief, I.; Boukef, K.; Marzouk, Z., Analysis of Tunisian Ruta graveolens L. oils from Jemmel, Journal of Food, Agriculture Environment, 2007, 5, 1, 52-55. [all data]

Quijano and Pino, 2006
Quijano, C.E.; Pino, J.A., Changes in volatile constituents during the ripening of cocona (Solanum sessiliflorum Dunal) fruit, Revista CENIC Ciencias Quimicas, 2006, 37, 3, 133-136. [all data]

Notes

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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