Tridecanal

Formula: C₁₃H₂₆O
Molecular weight: 198.3449
IUPAC Standard InChI: InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3
IUPAC Standard InChIKey: BGEHHAVMRVXCGR-UHFFFAOYSA-N
CAS Registry Number: 10486-19-8
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-Tridecylaldehyde; Tridecanaldehyde; Tridecyl aldehyde; 1-Tridecanal; Tridecane aldehyde; n-Tridecanal
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Normal alkane RI, non-polar column, temperature ramp

Go To: Top, References, Notes

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

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Optima-5	HP-5 MS	HP-5 MS	VF-5	HP-1
Column length (m)	30.	30.	30.	30.	25.
Carrier gas	Helium	Helium	Helium	Helium
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.32
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.17
T_start (C)	60.	60.	70.	60.	50.
T_end (C)	246.	220.	290.	300.	260.
Heat rate (K/min)	3.	5.	5.	10.	1.
Initial hold (min)	1.	10.		2.	5.
Final hold (min)			10.	10.	5.
I	1508.	1510.	1513.	1516.	1495.
Reference	Al-Qudah, Muhaidat, et al., 2012	Ogunwande, Flamini, et al., 2010	Radulovic, Blagojevic, et al., 2010	Li and Zhao, 2009	Wetwiayaklung, Thavanapong, et al., 2009
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	HP-5	DB-5	CP Sil 5 CB	DB-1
Column length (m)	25.	30.	30.	30.	60.
Carrier gas	Helium	Helium	He	He	N2
Substrate
Column diameter (mm)	0.32	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.52	0.25	0.25	0.25	0.25
T_start (C)	40.	40.	50.	40.	70.
T_end (C)	280.	260.	250.	220.	230.
Heat rate (K/min)	4.	4.	4.	4.	2.
Initial hold (min)				1.	2.
Final hold (min)					20.
I	1509.	1506.	1518.	1503.	1497.
Reference	Pavlovic, Petrovic, et al., 2007	Ristic, Krivokuca-Dokic, et al., 2007	Najafpour Navaei, Mirza, et al., 2006	Rohloff and Bones, 2005	Choi, 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	DB-1	DB-5	DB-1	HP-1
Column length (m)	30.	60.	60.	60.	50.
Carrier gas	He	He	He	N2	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.2
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.5
T_start (C)	50.	70.	35.	70.	60.
T_end (C)	265.	230.	280.	230.	220.
Heat rate (K/min)	2.5	2.	5.	2.	2.
Initial hold (min)	1.	2.	2.	2.
Final hold (min)	20.	20.	4.	20.	40.
I	1491.	1497.	1505.	1496.	1484.
Reference	Sarkhail, Amin, et al., 2004	Choi, 2003	Dhanda, Pegg, et al., 2003	Tu, Onishi, et al., 2003	Valette, Fernandez, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	DB-5	DB-5	RTX-5	SPB-5
Column length (m)	30.	30.	30.	20.	60.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.18	0.32
Phase thickness (μm)	0.25	0.25	0.25	0.4	1.
T_start (C)	60.	60.	60.	20.	40.
T_end (C)	240.	250.	300.	290.	200.
Heat rate (K/min)	3.	3.	2.	40.	3.
Initial hold (min)				3.5
Final hold (min)				0.5
I	1512.	1503.	1506.	1507.	1514.
Reference	Flamini, Ertugrul, et al., 2002	Limberger, Simões-Pires, et al., 2002	Ruberto, Biondi, et al., 2002	Sies A., Hirsch R., et al., 2002	Poligné, Collignan, et al., 2001
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	OV-101	DB-5	SE-30	SE-30	Ultra-2
Column length (m)	50.	30.	25.	25.	50.
Carrier gas	N2	N2	He	He	He
Substrate
Column diameter (mm)	0.25	0.22	0.2	0.2	0.32
Phase thickness (μm)		0.25			0.52
T_start (C)	80.	70.	60.	60.	40.
T_end (C)	200.	230.	230.	230.	250.
Heat rate (K/min)	2.	4.	3.	3.	4.
Initial hold (min)		2.		10.	3.
Final hold (min)		20.			30.
I	1488.	1503.	1483.	1483.	1513.
Reference	Yang, 2001	Mitiku, Sawamura, et al., 2000	Ali N.A.M. and Jantan, 1999	Mohd and Jantan, 1999	King, Matthews, et al., 1995
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	OV-101	OV-101	Cross-Linked Methylsilicone	Ultra-2	OV-101
Column length (m)	50.	50.	25.	50.	50.
Carrier gas	N2	N2	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.32	0.25
Phase thickness (μm)				0.52
T_start (C)	80.	80.	35.	40.	80.
T_end (C)	200.	200.	225.	250.	200.
Heat rate (K/min)	2.	2.	4.	4.	2.
Initial hold (min)			3.	3.
Final hold (min)				30.
I	1493.	1495.	1490.	1519.	1488.
Reference	Tamura, Nakamoto, et al., 1995	Tamura, Nakamoto, et al., 1995	Bravo and Hotchkiss, 1993	King, Hamilton, et al., 1993	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	OV-101	OV-101	OV-101	OV-101
Column length (m)	50.	50.	50.	50.	50.
Carrier gas		Nitrogen	Nitrogen	N2	N2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)
T_start (C)	80.	70.	80.	80.	80.
T_end (C)	200.	200.	200.	200.	200.
Heat rate (K/min)	2.	2.	2.	2.	2.
Initial hold (min)
Final hold (min)
I	1490.	1490.	1495.	1490.	1491.
Reference	Tamura, Yang, et al., 1993	Sugisawa, Nakamura, et al., 1990	Sugisawa, Nakamura, et al., 1990	Yang and Sugisawa, 1990	Yang and Sugisawa, 1990
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary
Active phase	OV-101	OV-101	OV-101	Methyl Silicone
Column length (m)	50.	50.	50.	25.
Carrier gas	N2	N2	N2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.2
Phase thickness (μm)
T_start (C)	80.	80.	80.	80.
T_end (C)	200.	200.	200.	225.
Heat rate (K/min)	2.	2.	2.	4.
Initial hold (min)
Final hold (min)				20.
I	1491.	1491.	1495.	1490.
Reference	Sugisawa, Yamamoto, et al., 1989	Sugisawa, Yang, et al., 1989	Sugisawa, Yang, et al., 1989	Lorenz, Stern, et al., 1983
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

References

Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes

Al-Qudah, Muhaidat, et al., 2012
Al-Qudah, M.A.; Muhaidat, R.; Trawenh, I.N.; Jaber, H.I.; Abu Zarga, M.H.; Abu Orabi, S.T., Volatile constituents of leaves and bulbs of Gynandriris Sisyrinchicum and their antimicrobial activities, Jordan J. Chem., 2012, 7, 3, 287-295. [all data]

Ogunwande, Flamini, et al., 2010
Ogunwande, I.A.; Flamini, G.; Cioni, P.L.; Omikorede, O.; Azeez, R.A.; Ayodele, A.A.; Kamil, Y.O., Aromatic plants growing in Nigeria: essential oil constituents of Cassia alata (Linn.) Roxb. and Helianthus annuus L., Rec. Nat. Prod., 2010, 4, 4, 211-217. [all data]

Radulovic, Blagojevic, et al., 2010
Radulovic, N.; Blagojevic, P.; Palic, R., Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae), Molecules, 2010, 15, 9, 6168-6185, https://doi.org/10.3390/molecules15096168 . [all data]

Li and Zhao, 2009
Li, L.; Zhao, J., Determination of the volatile composition of Rhodobryum giganteum (Schwaegr.) Par. (Bryaceae) using solid-phase microextraction and gas chromatography / mass spectrometry (GC/MS), Molecules, 2009, 14, 6, 2195-2201, https://doi.org/10.3390/molecules14062195 . [all data]

Wetwiayaklung, Thavanapong, et al., 2009
Wetwiayaklung, P.; Thavanapong, N.; Charoenteeraboon, J., Chemical constituents and antimicrobial activity os essential oil and extracts of heartwood of Aquilaria crassna obtained from water distillation and supercritical fluid carbon dioxide extraction, Silpakorn U Sci. J., 2009, 3, 1, 25-33. [all data]

Pavlovic, Petrovic, et al., 2007
Pavlovic, M.; Petrovic, S.; Ristic, M.; Maksimovic, Z.; Kovacevic, N., Essential oil of filipendula hexapetala, Chem. Natural Compounds, 2007, 43, 2, 228-229, https://doi.org/10.1007/s10600-007-0088-z . [all data]

Ristic, Krivokuca-Dokic, et al., 2007
Ristic, M.; Krivokuca-Dokic, D.; Radanovic, D.; Nastovski, T., Etarsko ulje Arnica montata i Arnica chamissonis, Hem. Ind., 2007, 61, 5, 272-277, https://doi.org/10.2298/HEMIND0704272R . [all data]

Najafpour Navaei, Mirza, et al., 2006
Najafpour Navaei, M.; Mirza, M.; Dini, M., Chemical composition of the essential oils of Rubia tinctorum L. aerial parts from Iran, Flavour Fragr. J., 2006, 21, 3, 519-520, https://doi.org/10.1002/ffj.1667 . [all data]

Rohloff and Bones, 2005
Rohloff, J.; Bones, A.M., Volatile profiling of Arabidopsis thaliana - Putative olfactory compounds in plant communication, Phytochemistry, 2005, 66, 16, 1941-1955, https://doi.org/10.1016/j.phytochem.2005.06.021 . [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]

Sarkhail, Amin, et al., 2004
Sarkhail, P.; Amin, G.; Shafiee, A., Composition of the essential oil of Phlomis persica Boiss and Phlomis chorassanica Bunge from Iran, Flavour Fragr. J., 2004, 19, 6, 538-540, https://doi.org/10.1002/ffj.1338 . [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]

Dhanda, Pegg, et al., 2003
Dhanda, J.S.; Pegg, R.B.; Shand, P.J., Saskatchewan specialty livestock value-added program - Saskatchewan agri-food innovation fund (AFIF) Project #98000016, 2003, retrieved from http://www.agr.gov.sk.ca/afif/Projects/19980016.pdf. [all data]

Tu, Onishi, et al., 2003
Tu, N.T.M.; Onishi, Y.; Son, U.S.; Ogawa, E.; Ukeda, H.; Sawamura, M., Characteristic odour components of Citrus inflata Hort. Ex Tanaka (Mochiyu) cold-pressed peel oil, Flavour Fragr. J., 2003, 18, 5, 454-459, https://doi.org/10.1002/ffj.1252 . [all data]

Valette, Fernandez, et al., 2003
Valette, L.; Fernandez, X.; Poulain, S.; Loiseau, A.-M.; Lizzani-Cuvelier, L.; Levieil, R.; Restier, L., Volatile constituents from Romanesco cauliflower, Food Chem., 2003, 80, 3, 353-358, https://doi.org/10.1016/S0308-8146(02)00272-8 . [all data]

Flamini, Ertugrul, et al., 2002
Flamini, G.; Ertugrul, K.; Cioni, P.L.; Morelli, I.; Dural, H.; Bagci, Y., Volatile constituents of two endemic Centaurea species from Turkey: C. pseudoscabiosa subsp. pseudoscabiosa and C. hadimensis, Biochem. Syst. Ecol., 2002, 30, 10, 953-959, https://doi.org/10.1016/S0305-1978(02)00043-1 . [all data]

Limberger, Simões-Pires, et al., 2002
Limberger, R.P.; Simões-Pires, C.; Sobral, M.; Menu, C.; Bessiere, J.-M.; Henriques, A.T., Essential oils from some Myrceugenia species (Myrtaceae), Flavour Fragr. J., 2002, 17, 5, 341-344, https://doi.org/10.1002/ffj.1113 . [all data]

Ruberto, Biondi, et al., 2002
Ruberto, G.; Biondi, D.; Barbagallo, C.; Meli, R.; Savoca, F., Constituents of stem and flower oils of Helichrysum litoreum Guss., Flavour Fragr. J., 2002, 17, 1, 46-48, https://doi.org/10.1002/ffj.1037 . [all data]

Sies A., Hirsch R., et al., 2002
Sies A.; Hirsch R.; Löscher R.; Tablack P.; Guth H., Direct thermal desorption and Fast-GC-TOF-MS for a rapid quality control of hazelnuts, 10th Weurman Flavour Research Symposium, 24 - 28 June 2002, Beaune, France, 2002. [all data]

Poligné, Collignan, et al., 2001
Poligné, I.; Collignan, A.; Trystram, G., Characterization of traditional processing of pork meat into boucané, Meat Sci., 2001, 59, 4, 377-389, https://doi.org/10.1016/S0309-1740(01)00090-0 . [all data]

Yang, 2001
Yang, R., Volatile compounds in peel oil of Citrus sudachi, Food Sci. (Beijing), 2001, 22, 3, 71-73. [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]

Ali N.A.M. and Jantan, 1999
Ali N.A.M.; Jantan, I., Essential oil of cinnamomum tahijanum kost. from sarawak, ASEAN Review of BiodiversityEnvironment Conservation, 1999, November-December, 1-4. [all data]

Mohd and Jantan, 1999
Mohd, N.A.; Jantan, I., Essential oil of cinnamomum tahijanum Kost. from Sarawak, 1999, retrieved from http://www.arbec.com.my/pdf/art5novdec99.pdf. [all data]

King, Matthews, et al., 1995
King, M.-F.; Matthews, M.A.; Rule, D.C.; Field, R.A., Effect of beef packaging method on volatile compounds developed by oven roasting or microwave cooking, J. Agric. Food Chem., 1995, 43, 3, 773-778, https://doi.org/10.1021/jf00051a039 . [all data]

Tamura, Nakamoto, et al., 1995
Tamura, H.; Nakamoto, H.; Yang, R.-H.; Sugisawa, H., Characteristic aroma compounds in green algae (Ulva pertusa) volatiles, Nippon Shokuhin Kagaku Kogaku Kaishi, 1995, 42, 11, 887-891, https://doi.org/10.3136/nskkk.42.887 . [all data]

Bravo and Hotchkiss, 1993
Bravo, A.; Hotchkiss, J.H., Identification of volatile compounds resulting from the thermal oxidation of polyethylene, J. Appl. Polym. Sci., 1993, 47, 10, 1741-1748, https://doi.org/10.1002/app.1993.070471004 . [all data]

King, Hamilton, et al., 1993
King, M.-F.; Hamilton, B.L.; Matthews, M.A.; Rule, D.C.; Field, R.A., Isolation and identification of volatiles and condensable material in raw beef with supercritical carbon dioxide extraction, J. Agric. Food Chem., 1993, 41, 11, 1974-1981, https://doi.org/10.1021/jf00035a030 . [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]

Sugisawa, Nakamura, et al., 1990
Sugisawa, H.; Nakamura, K.; Tamura, H., The aroma profile of the volatile in marine green algae (Ulva pertusa), Food Reviews International, 1990, 6, 4, 573-589, https://doi.org/10.1080/87559129009540893 . [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]

Sugisawa, Yang, et al., 1989
Sugisawa, H.; Yang, R.H.; Kawabata, C.; Tamura, H., Volatile constituents in the peel oil of sudachi (Citrus sudachi), Agric. Biol. Chem., 1989, 53, 6, 1721-1723, https://doi.org/10.1271/bbb1961.53.1721 . [all data]

Lorenz, Stern, et al., 1983
Lorenz, G.; Stern, D.J.; Flath, R.A.; Haddon, W.F.; Tillin, S.J.; Teranishi, R., Identification of sheep liver volatiles, J. Agric. Food Chem., 1983, 31, 5, 1052-1057, https://doi.org/10.1021/jf00119a033 . [all data]

Notes

Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References

Symbols used in this document:

T_end Final temperature

T_start Initial temperature
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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