Dodecanoic acid, ethyl ester
- Formula: C14H28O2
- Molecular weight: 228.3709
- IUPAC Standard InChIKey: MMXKVMNBHPAILY-UHFFFAOYSA-N
- CAS Registry Number: 106-33-2
- 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: Lauric acid, ethyl ester; Ethyl dodecanoate; Ethyl dodecylate; Ethyl laurate; Ethyl laurinate; Ethyl n-dodecanoate; Ethyl ester of dodecanoic acid; Ethyl n-dodecanote; Ethyl ester dodecanoic acid
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Normal alkane 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 | DB-Wax | HP-Innowax | TC-FFAP | DB-Wax | DB-Wax |
Column length (m) | 30. | 50. | 30. | 30. | |
Carrier gas | Helium | Helium | He | He | N2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.20 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.20 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 45. | 60. | 40. | 40. |
Tend (C) | 230. | 190. | 220. | 230. | 230. |
Heat rate (K/min) | 3. | 4. | 3. | 4. | 6. |
Initial hold (min) | 2. | 2. | 2. | 2. | |
Final hold (min) | 5. | 50. | 30. | 15. | 15. |
I | 1850. | 1839. | 1850. | 1828. | 1836. |
Reference | Zhao, Xu, et al., 2009 | Soria, Sanz, et al., 2008 | Kurose, Okamura, et al., 2007 | Fan and Qian, 2006 | Fan and Qian, 2006, 2 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax Etr | DB-Wax | DB-Wax | DB-Wax | HP-FFAP |
Column length (m) | 30. | 60. | 60. | 60. | 25. |
Carrier gas | He | Nitrogen | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.50 | 0.25 | 0.25 | 0.52 |
Tstart (C) | 40. | 35. | 40. | 40. | 60. |
Tend (C) | 220. | 235. | 220. | 220. | 240. |
Heat rate (K/min) | 2. | 2. | 3. | 3. | 5. |
Initial hold (min) | 1. | 4. | 5. | 10. | 1. |
Final hold (min) | 10. | 30. | 10. | 5. | |
I | 1865. | 1866. | 1843. | 1830. | 1820. |
Reference | Perestrelo, Fernandes, et al., 2006 | Qian and Wang, 2005 | López, Ezpeleta, et al., 2004 | Hayata, Sakamoto, et al., 2002 | Qian and Reineccius, 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | Supelcowax-10 | DB-Wax | CP-Wax 52CB | Carbowax 20M |
Column length (m) | 60. | 60. | 60. | 50. | 50. |
Carrier gas | He | He | Nitrogen | H2 | N2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.22 |
Phase thickness (μm) | 0.25 | 0.25 | 0.22 | ||
Tstart (C) | 40. | 60. | 40. | 60. | 80. |
Tend (C) | 200. | 280. | 200. | 190. | 200. |
Heat rate (K/min) | 2. | 4. | 2. | 2. | 3. |
Initial hold (min) | 2. | 10. | 4. | ||
Final hold (min) | 21. | ||||
I | 1829. | 1826. | 1850. | 1822. | 1820. |
Reference | Umano, Hagi, et al., 2002 | Korány, Mednyánszky, et al., 2000 | Tamura, Boonbumrung, et al., 2000 | Hwan and Chou, 1999 | Mihara, Tateba, et al., 1988 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | Carbowax 20M | Carbowax 20M | Carbowax 20M | BP-20 |
Column length (m) | 50. | 50. | 50. | 25. |
Carrier gas | N2 | N2 | N2 | |
Substrate | ||||
Column diameter (mm) | 0.22 | 0.22 | 0.22 | 0.2 |
Phase thickness (μm) | ||||
Tstart (C) | 80. | 80. | 80. | 70. |
Tend (C) | 200. | 200. | 200. | 180. |
Heat rate (K/min) | 3. | 3. | 3. | 3. |
Initial hold (min) | 5. | |||
Final hold (min) | ||||
I | 1822. | 1820. | 1822. | 1826. |
Reference | Mihara, Tateba, et al., 1988 | Mihara, Tateba, et al., 1987 | Mihara, Tateba, et al., 1987 | MacLeod and Snyder, 1985 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Zhao, Xu, et al., 2009
Zhao, Y.; Xu, Y.; Li, J.; Fan, W.; Jiang, W.,
Profile of volatile compounds in 11 brandies by headspace solid-phase microextraction followed by gas chromatography-mass spectrometry,
J. Food. Sci., 2009, 74, 2, c90-c99, https://doi.org/10.1111/j.1750-3841.2008.01029.x
. [all data]
Soria, Sanz, et al., 2008
Soria, A.C.; Sanz, J.; Martinez-Castro, I.,
SPME followed by GC-MS: a powerful technique for qualitative analysis of honey volatiles,
Eur. Food Res. Technol., 2008, 1-12. [all data]
Kurose, Okamura, et al., 2007
Kurose, K.; Okamura, D.; Yatagai, M.,
Composition of the essential oils from the leaves of nine Pinus species and the cones of three of Pinus species,
Flavour Fragr. J., 2007, 22, 1, 10-20, https://doi.org/10.1002/ffj.1609
. [all data]
Fan and Qian, 2006
Fan, W.; Qian, M.C.,
Characterization of Aroma Compounds of Chinese Wuliangye and Jiannanchun Liquors by Aroma Extract Dilution Analysis,
J. Agric. Food Chem., 2006, 54, 7, 2695-2704, https://doi.org/10.1021/jf052635t
. [all data]
Fan and Qian, 2006, 2
Fan, W.; Qian, M.C.,
Identification of aroma compounds in Chinese 'Yanghe Daqu' liquor by normal phase chromatography fractionation followed by gas chromatography/olfactometry,
Flavour Fragr. J., 2006, 21, 2, 333-342, https://doi.org/10.1002/ffj.1621
. [all data]
Perestrelo, Fernandes, et al., 2006
Perestrelo, R.; Fernandes, A.; Albuquerque, F.F.; Marques, J.C.; Camara, J.S.,
Analytical characterization of the aroma of Tinta Negra Mole red wine: Identification of the main odorants compounds,
Anal. Chim. Acta., 2006, 563, 1-2, 154-164, https://doi.org/10.1016/j.aca.2005.10.023
. [all data]
Qian and Wang, 2005
Qian, M.C.; Wang, Y.,
Seasonal Variations of Volatile Composition and Odor Activity Value of Marion (Rubus spp. hyb) and Thornless Evergreen (R.laciniatus L.) Blackberries,
J. Food. Sci., 2005, 70, 1, c13-c20, https://doi.org/10.1111/j.1365-2621.2005.tb09013.x
. [all data]
López, Ezpeleta, et al., 2004
López, R.; Ezpeleta, E.; Sánchez, I.; Cacho, J.; Ferreira, V.,
Analysis of the aroma intensities of volatile compounds released from mild acid hydrolysates of odourless precursors extracted from Tempranillo and Grenache grapes using gas chromatography-olfactometry,
Food Chem., 2004, 88, 1, 95-103, https://doi.org/10.1016/j.foodchem.2004.01.025
. [all data]
Hayata, Sakamoto, et al., 2002
Hayata, Y.; Sakamoto, T.; Kozuka, H.; Sakamoto, K.; Osajima, Y.,
Analysis of aromatic volatile compounds in 'Miyabi' melon (Cucumis melo L.) using the Porapak Q column,
J. Jpn. Soc. Hortic. Sci., 2002, 71, 4, 517-525, https://doi.org/10.2503/jjshs.71.517
. [all data]
Qian and Reineccius, 2002
Qian, M.; Reineccius, G.,
Identification of aroma compounds in Parmigiano-Reggiano cheese by gas chromatography/olfactometry,
J. Dairy Sci., 2002, 85, 6, 1362-1369, https://doi.org/10.3168/jds.S0022-0302(02)74202-1
. [all data]
Umano, Hagi, et al., 2002
Umano, K.; Hagi, Y.; Shibamoto, T.,
Volatile chemicals identified in extracts from newly hybrid citrus, dekopon (Shiranuhi mandarin Suppl. J.),
J. Agric. Food Chem., 2002, 50, 19, 5355-5359, https://doi.org/10.1021/jf0203951
. [all data]
Korány, Mednyánszky, et al., 2000
Korány, K.; Mednyánszky, Zs.; Amtmann, M.,
Preliminary results of a recognition method visualizing the aroma and fragrance features,
Acta Aliment., 2000, 29, 2, 187-198, https://doi.org/10.1556/AAlim.29.2000.2.9
. [all data]
Tamura, Boonbumrung, et al., 2000
Tamura, H.; Boonbumrung, S.; Yoshizawa, T.; Varanyanond, W.,
Volatile components of the essential oil in the pulp of four yellow mangoes (Mangifera indica L.) in Thailand,
Food Sci. Technol. Res., 2000, 6, 1, 68-73, https://doi.org/10.3136/fstr.6.68
. [all data]
Hwan and Chou, 1999
Hwan, C.-H.; Chou, C.-C.,
Volatile components of the Chinese fermented soya bean curd as affected by the addition of ethanol in ageing solution,
J. Sci. Food Agric., 1999, 79, 2, 243-248, https://doi.org/10.1002/(SICI)1097-0010(199902)79:2<243::AID-JSFA179>3.0.CO;2-I
. [all data]
Mihara, Tateba, et al., 1988
Mihara, S.; Tateba, H.; Nishimura, O.; Machii, Y.; Kishino, K.,
The volatile components of Chinese quince (Pseudocydonia sinensis Schneid)
in Flavors and Fragrances: A World Perspective. Proceedings of the 10th International Congress of Essential Oils, Fragrances and Flavors, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Elsevier, New York, 1988, 537-550. [all data]
Mihara, Tateba, et al., 1987
Mihara, S.; Tateba, H.; Nishimura, O.; Machii, Y.; Kishino, K.,
Volatile components of Chinese quince (Pseudocydonia sinensis Schneid),
J. Agric. Food Chem., 1987, 35, 4, 532-537, https://doi.org/10.1021/jf00076a023
. [all data]
MacLeod and Snyder, 1985
MacLeod, A.J.; Snyder, C.H.,
Volatile components of two cultivars of mango from Florida,
J. Agric. Food Chem., 1985, 33, 3, 380-384, https://doi.org/10.1021/jf00063a015
. [all data]
Notes
Go To: Top, Normal alkane 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.