Acetic acid, decyl ester
- Formula: C12H24O2
- Molecular weight: 200.3178
- IUPAC Standard InChI: InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-11H2,1-2H3
- IUPAC Standard InChIKey: NUPSHWCALHZGOV-UHFFFAOYSA-N
- CAS Registry Number: 112-17-4
- 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-Decyl acetate; Acetate C 10; Decyl acetate; 1-Decanol acetate; n-Decyl ethanoate; Decyl ester of acetic acid; Acetic acid, n-decyl ester; Decanol acetate; Decyl alcohol, acetate
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Normal alkane RI, non-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 | HP-5MS | HP-5 | DB-5 | DB-1 | DB-1 |
| Column length (m) | 30. | 60. | 30. | 60. | 60. |
| Carrier gas | He | He | 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) | 60. | 60. | 70. | 70. | 70. |
| Tend (C) | 280. | 250. | 230. | 230. | 230. |
| Heat rate (K/min) | 3. | 3. | 2. | 2. | 2. |
| Initial hold (min) | 2. | 2. | 2. | ||
| Final hold (min) | 20. | 20. | 20. | ||
| I | 1393. | 1406. | 1408. | 1389. | 1390. |
| Reference | Basta, Tzakou, et al., 2007 | Bertrand, Comte, et al., 2006 | Choi, 2006 | Lan Phi N.T., Nishiyama C., et al., 2006 | Lan Phi N.T., Nishiyama C., et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-1 | DB-5 | DB-1 | DB-1 |
| Column length (m) | 30. | 60. | 30. | 60. | 60. |
| Carrier gas | He | He | N2 | He | |
| 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) | 60. | 70. | 60. | 70. | 70. |
| Tend (C) | 260. | 230. | 220. | 230. | 230. |
| Heat rate (K/min) | 4. | 2. | 3. | 2. | 2. |
| Initial hold (min) | 4. | 2. | 4. | 2. | 2. |
| Final hold (min) | 20. | 20. | 20. | ||
| I | 1410. | 1391. | 1409. | 1398. | 1398. |
| Reference | Morteza-Semnani, Saeedi, et al., 2006 | Sawamura, Onishi, et al., 2006 | Salehi, Sefidkon, et al., 2005 | Choi, 2004 | Choi, 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | OV-101 | RSL-200 | DB-5 | OV-101 | OV-101 |
| Column length (m) | 50. | 60. | 30. | 50. | 50. |
| Carrier gas | N2 | H2 | N2 | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.22 | 0.22 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 1. | ||
| Tstart (C) | 80. | 40. | 70. | 100. | 80. |
| Tend (C) | 200. | 250. | 230. | 220. | 200. |
| Heat rate (K/min) | 2. | 6. | 4. | 1. | 2. |
| Initial hold (min) | 2. | 1. | |||
| Final hold (min) | 20. | ||||
| I | 1393. | 1392. | 1389. | 1391. | 1393. |
| Reference | Yang, 2001 | Jirovetz, Puschmann, et al., 2000 | Mitiku, Sawamura, et al., 2000 | Camciuc, Bessière, et al., 1998 | Tamura, Yang, et al., 1993 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | OV-101 | SPB-5 | Ultra-1 | OV-101 | OV-101 |
| Column length (m) | 50. | 30. | 25. | 50. | 50. |
| Carrier gas | He | N2 | N2 | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | |
| Phase thickness (μm) | 1.0 | 0.25 | |||
| Tstart (C) | 80. | 50. | 80. | 80. | 80. |
| Tend (C) | 200. | 250. | 260. | 200. | 200. |
| Heat rate (K/min) | 2. | 8. | 3. | 2. | 2. |
| Initial hold (min) | |||||
| Final hold (min) | |||||
| I | 1394. | 1412. | 1391. | 1392. | 1393. |
| Reference | Tamura, Yang, et al., 1993 | King and Knight, 1992 | Okumura, 1991 | Yang and Sugisawa, 1990 | Yang and Sugisawa, 1990 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | OV-101 | OV-1 |
| Column length (m) | 50. | 60. |
| Carrier gas | N2 | Helium |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.50 |
| Phase thickness (μm) | 1.2 | |
| Tstart (C) | 80. | 40. |
| Tend (C) | 200. | 220. |
| Heat rate (K/min) | 2. | 2. |
| Initial hold (min) | ||
| Final hold (min) | ||
| I | 1393. | 1394. |
| Reference | Sugisawa, Yamamoto, et al., 1989 | Wahab, Aboutabl, et al., 1987 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Basta, Tzakou, et al., 2007
Basta, A.; Tzakou, O.; Couladis, M.; Yannitsaros, A.,
Essential oil composition of Prasium majus L. from Greece,
Flavour Fragr. J., 2007, 22, 5, 347-349, https://doi.org/10.1002/ffj.1802
. [all data]
Bertrand, Comte, et al., 2006
Bertrand, C.; Comte, G.; Piola, F.,
Solid-phase microextraction of volatile compounds from flowers of two Brunfelsia species,
Biochem. Syst. Ecol., 2006, 34, 5, 371-375, https://doi.org/10.1016/j.bse.2005.12.005
. [all data]
Choi, 2006
Choi, H.-S.,
Headspace analyses of fresh leaves and stems of Angelica gigas Nakai, a Korean medicinal herb,
Flavour Fragr. J., 2006, 21, 4, 604-608, https://doi.org/10.1002/ffj.1602
. [all data]
Lan Phi N.T., Nishiyama C., et al., 2006
Lan Phi N.T.; Nishiyama C.; Choi H.-S.; Sawamura M.,
Evaluation of aroma characteristic compounds of Citrus natsudaidai Hayata (Natsudaidai) cold-pressed peel oil,
Biosci. Biotechnol. Biochem., 2006, 70, 8, 1832-1838, https://doi.org/10.1271/bbb.50705
. [all data]
Morteza-Semnani, Saeedi, et al., 2006
Morteza-Semnani, K.; Saeedi, M.; Akbarsadeh, M.; Moshiri, K.,
The essential oil composition of Onosma microcarpum DC.,
Flavour Fragr. J., 2006, 21, 2, 314-316, https://doi.org/10.1002/ffj.1597
. [all data]
Sawamura, Onishi, et al., 2006
Sawamura, M.; Onishi, Y.; Ikemoto, J.; Tu, N.T.M.; Phi, N.T.L.,
Characteristic odour components of bergamot (Citrus bergamia Risso) essential oil,
Flavour Fragr. J., 2006, 21, 4, 609-615, https://doi.org/10.1002/ffj.1604
. [all data]
Salehi, Sefidkon, et al., 2005
Salehi, P.; Sefidkon, F.; Bazzaz Tolami, L.; Sonboli, A.,
Essential oil composition of Salvia palaestina Benth. from Iran,
Flavour Fragr. J., 2005, 20, 5, 525-527, https://doi.org/10.1002/ffj.1448
. [all data]
Choi, 2004
Choi, H.-S.,
Volatile constituents of satsuma mandarins growing in Korea,
Flavour Fragr. J., 2004, 19, 5, 406-412, https://doi.org/10.1002/ffj.1283
. [all data]
Choi, 2003
Choi, H.-S.,
Characterization of citrus unshiu (C. unshiu Marcov. forma Miyagawa-wase) blossom aroma by solid-phase microextraction in conjunction with an electronic nose,
J. Agric. Food Chem., 2003, 51, 2, 418-423, https://doi.org/10.1021/jf0114280
. [all data]
Yang, 2001
Yang, R.,
Analysis of the volatile components in peel oil of Yuzu by gas chromatography/mass spectrometry,
Chin. J. Anal. Chem., 2001, 29, 3, 313-316. [all data]
Jirovetz, Puschmann, et al., 2000
Jirovetz, L.; Puschmann, C.; Stojanova, A.; Metodiev, S.; Buchbauer, G.,
Analysis of the essential oil volatiles of Douglas fir (Pseudotsuga menziesii) from Bulgaria,
Flavour Fragr. J., 2000, 15, 6, 434-437, https://doi.org/10.1002/1099-1026(200011/12)15:6<434::AID-FFJ935>3.0.CO;2-0
. [all data]
Mitiku, Sawamura, et al., 2000
Mitiku, S.B.; Sawamura, M.; Itoh, T.; Ukeda, H.,
Volatile components of peel cold-pressed oils of two cultivars of sweet orange (Citrus sinensis (L.) Osbeck) from Ethiopia,
Flavour Fragr. J., 2000, 15, 4, 240-244, https://doi.org/10.1002/1099-1026(200007/08)15:4<240::AID-FFJ902>3.0.CO;2-F
. [all data]
Camciuc, Bessière, et al., 1998
Camciuc, M.; Bessière, J.M.; Vilarem, G.; Gaset, A.,
Volatile components in okra seed coat,
Phytochemistry, 1998, 48, 2, 311-315, https://doi.org/10.1016/S0031-9422(97)01127-8
. [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]
King and Knight, 1992
King, J.R.; Knight, R.J.,
Volatile components of the leaves of various avocado cultivars,
J. Agric. Food Chem., 1992, 40, 7, 1182-1185, https://doi.org/10.1021/jf00019a020
. [all data]
Okumura, 1991
Okumura, T.,
retention indices of environmental chemicals on methyl silicone capillary column,
Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333
. [all data]
Yang and Sugisawa, 1990
Yang, R.; Sugisawa, H.,
Citrus Suachi Hort. ex Shirai. Volatile components in Sudachi (Citrus Sudachi Hort. ex Shirai) juice,
Nippon Shokuhin Kogyo Gakkaishi, 1990, 37, 12, 946-952, https://doi.org/10.3136/nskkk1962.37.12_946
. [all data]
Sugisawa, Yamamoto, et al., 1989
Sugisawa, H.; Yamamoto, M.; Tamura, H.; Takagi, N.,
The comparison of volatile components in peel oil from four species of navel orange,
Nippon Shokuhin Kogio Gakkaishi, 1989, 36, 6, 455-462, https://doi.org/10.3136/nskkk1962.36.6_455
. [all data]
Wahab, Aboutabl, et al., 1987
Wahab, S.M.A.; Aboutabl, E.A.; El-Zalabani, S.M.; DePooter, H.L.; Al-Fallaha, B.,
The essential oil of olibanum,
Planta Medica, 1987, 53, 04, 382-384, https://doi.org/10.1055/s-2006-962745
. [all data]
Notes
Go To: Top, Normal alkane RI, non-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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