1-Undecanol, acetate
- Formula: C13H26O2
- Molecular weight: 214.3443
- IUPAC Standard InChI: InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-15-13(2)14/h3-12H2,1-2H3
- IUPAC Standard InChIKey: CKQGCFFDQIFZFA-UHFFFAOYSA-N
- CAS Registry Number: 1731-81-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Undecyl acetate; Undecyl alcohol, acetate; n-Undecyl acetate; Acetic acid undecyl ester
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Gas Chromatography
Go To: Top, References, Notes
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
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | SE-30 | 140. | 1493. | Haken and Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.33 mm |
| Capillary | SE-30 | 160. | 1495. | Haken and Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.33 mm |
| Capillary | SE-30 | 180. | 1493. | Haken and Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.33 mm |
| Capillary | SE-30 | 200. | 1487. | Haken and Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.33 mm |
| Capillary | SE-30 | 220. | 1491. | Haken and Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.33 mm |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-101 | 1483. | Ohnishi and Shibamoto, 1984 | 2. K/min; Column length: 50. m; Column diameter: 0.23 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | OV-101 | 1486. | Ohnishi and Shibamoto, 1984 | 2. K/min; Column length: 50. m; Column diameter: 0.23 mm; Tstart: 80. C; Tend: 200. C |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | OV-351 | 140. | 1802. | Haken and Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.32 mm |
| Capillary | OV-351 | 160. | 1804. | Haken and Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.32 mm |
| Capillary | OV-351 | 180. | 1808. | Haken and Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.32 mm |
| Capillary | OV-351 | 200. | 1800. | Haken and Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.32 mm |
| Capillary | OV-351 | 220. | 1819. | Haken and Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.32 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | 5 % Phenyl methyl siloxane | 1519. | Zaikin, 2010 | 30. m/0.25 mm/0.25 μm, 15. K/min, 270. C @ 15. min; Tstart: 60. C |
| Capillary | OV-101 | 1493. | Yang, Sugisawa, et al., 1992 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | OV-101 | 1495. | Yang, Sugisawa, et al., 1992 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 1507.6 | Zheng and White, 2008 | 30. m/0.25 mm/0.25 μm, He; Program: not specified |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1498. | Ouattara, Koudou, et al., 2007 | 30. m/0.25 mm/0.15 μm, 3. K/min; Tstart: 60. C; Tend: 220. C |
| Capillary | OV-101 | 1493. | Tamura, Yang, et al., 1993 | 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | OV-101 | 1495. | Tamura, Yang, et al., 1993 | 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-30 | 1487. | Vinogradov, 2004 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1775. | Vinogradov, 2004 | Program: not specified |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Haken and Korhonen, 1986
Haken, J.K.; Korhonen, I.O.O.,
Gas chromatography of homologous esters. XXXII. Capillary chromatography of C1-C18 monochlorinated n-alkyl acetates,
J. Chromatogr., 1986, 356, 79-94, https://doi.org/10.1016/S0021-9673(00)91468-7
. [all data]
Ohnishi and Shibamoto, 1984
Ohnishi, S.; Shibamoto, T.,
Volatile compounds from heated beef fat and beef fat with glycine,
J. Agric. Food Chem., 1984, 32, 5, 987-992, https://doi.org/10.1021/jf00125a008
. [all data]
Zaikin, 2010
Zaikin, V.G.,
Personal communication: Retention indices measured during 2010, 2010. [all data]
Yang, Sugisawa, et al., 1992
Yang, R.; Sugisawa, H.; Nakatani, H.; Tamura, H.; Takagi, N.,
Comparison of odor quality in peel oils of acid citrus,
Nippon Shokuhin Kogyo Gakkaishi, 1992, 39, 1, 16-24, https://doi.org/10.3136/nskkk1962.39.16
. [all data]
Zheng and White, 2008
Zheng, Y.; White, E.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [all data]
Ouattara, Koudou, et al., 2007
Ouattara, L.; Koudou, J.; Obame, L.C.E.; Karou, D.S.; Traore, A.; Bessiere, J.M.,
Chemical composition and antibacterial activity of Cochlospermum planchoni Hook. f. ex Planch essential oil from Burkina Faso,
Pakistan J. Biol. Sci., 2007, 10, 22, 4177-4179, https://doi.org/10.3923/pjbs.2007.4177.4179
. [all data]
Tamura, Yang, et al., 1993
Tamura, H.; Yang, R.-H.; Sugisawa, H.,
Aroma profiles of peel oils of acid citrus,
ACS Sym. Ser., 1993, 525, 121-136. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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