Acetic acid, nonyl ester
- Formula: C11H22O2
- Molecular weight: 186.2912
- IUPAC Standard InChIKey: GJQIMXVRFNLMTB-UHFFFAOYSA-N
- CAS Registry Number: 143-13-5
- 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: n-Nonanyl acetate; n-Nonyl acetate; n-Nonyl ethanoate; Acetic acid n-nonyl ester; Nonanol acetate; Nonyl acetate; Pelargonyl acetate
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Van Den Dool and Kratz RI, polar column, temperature ramp
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
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Wax 52CB | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 60. | 60. | 60. | 60. | 60. |
Carrier gas | He | N2 | N2 | N2 | N2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 70. | 70. | 70. | 70. |
Tend (C) | 250. | 230. | 230. | 230. | 230. |
Heat rate (K/min) | 4. | 2. | 2. | 2. | 2. |
Initial hold (min) | 2. | 2. | 2. | ||
Final hold (min) | 20. | 20. | 20. | 20. | |
I | 1581. | 1582. | 1585. | 1575. | 1581. |
Reference | Kourkoutas, Elmore, et al., 2006 | Choi, 2005 | Choi, 2003 | Choi, Kim. M.-S.L., et al., 2002 | Choi and Sawamura, 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Packed |
---|---|---|---|
Active phase | DB-Wax | Carbowax 20M | Carbowax 20M |
Column length (m) | 30. | 60. | |
Carrier gas | He | He | |
Substrate | Celite 545 | ||
Column diameter (mm) | 0.25 | 0.32 | |
Phase thickness (μm) | 0.25 | 0.425 | |
Tstart (C) | 40. | 45. | 75. |
Tend (C) | 200. | 300. | 228. |
Heat rate (K/min) | 2. | 3. | 4.6 |
Initial hold (min) | 5. | 3. | |
Final hold (min) | 20. | 20. | |
I | 1573. | 1574. | 1569. |
Reference | Kim, Thuy, et al., 2000 | Mondello, Dugo, et al., 1995 | van den Dool and Kratz, 1963 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Kourkoutas, Elmore, et al., 2006
Kourkoutas, D.; Elmore, J.S.; Mottram, D.S.,
Comparison of the volatile compositions and flavour properties of cantaloupe, Galia and honeydew muskmelons,
Food Chem., 2006, 97, 1, 95-102, https://doi.org/10.1016/j.foodchem.2005.03.026
. [all data]
Choi, 2005
Choi, H.-S.,
Characteristic odor components of kumquat (Fortunella japonica Swingle) peel oil,
J. Agric. Food Chem., 2005, 53, 5, 1642-1647, https://doi.org/10.1021/jf040324x
. [all data]
Choi, 2003
Choi, H.-S.,
Character impact odorants of Citrus Hallabong [(C. unshiu Marcov × C. sinensis Osbeck) × C. reticulata Blanco] cold-pressed peel oil,
J. Agric. Food Chem., 2003, 51, 9, 2687-2692, https://doi.org/10.1021/jf021069o
. [all data]
Choi, Kim. M.-S.L., et al., 2002
Choi, H.-S.; Kim. M.-S.L.; Sawamura, M.,
Constituents of the essential oil of cnidium officinale Makino, a Korean medicinal plant,
Flavour Fragr. J., 2002, 17, 1, 49-53, https://doi.org/10.1002/ffj.1038
. [all data]
Choi and Sawamura, 2000
Choi, H.-S.; Sawamura, M.,
Composition of the essential oil of Citrus tamurana Hort. ex Tanaka (Hyuganatsu),
J. Agric. Food Chem., 2000, 48, 10, 4868-4873, https://doi.org/10.1021/jf000651e
. [all data]
Kim, Thuy, et al., 2000
Kim, T.H.; Thuy, N.T.; Shin, J.H.; Baek, H.H.; Lee, H.J.,
Aroma-active compounds of miniature beefsteakplant (Mosla dianthera Maxim.),
J. Agric. Food Chem., 2000, 48, 7, 2877-2881, https://doi.org/10.1021/jf000219x
. [all data]
Mondello, Dugo, et al., 1995
Mondello, L.; Dugo, P.; Basile, A.; Dugo, G.,
Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixtures,
J. Microcolumn Sep., 1995, 7, 6, 581-591, https://doi.org/10.1002/mcs.1220070605
. [all data]
van den Dool and Kratz, 1963
van den Dool, H.; Kratz, P. Dec.,
A generalization of the retention index system including linear temperature programmed gas-liquid partition chromatography,
J. Chromatogr., 1963, 11, 463-471, https://doi.org/10.1016/S0021-9673(01)80947-X
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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