Heptadecanal-

Formula: C₁₇H₃₄O
Molecular weight: 254.4513
IUPAC Standard InChI: InChI=1S/C17H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h17H,2-16H2,1H3
IUPAC Standard InChIKey: PIYDVAYKYBWPPY-UHFFFAOYSA-N
CAS Registry Number: 629-90-3
Chemical structure:
This structure is also available as a 2d Mol file
Other names: n-Heptadecanal; 1-Heptadecanal
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Phase change data

Go To: Top, Gas Chromatography, References, Notes

Data compiled by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

Quantity	Value	Units	Method	Reference	Comment
T_boil	591.15	K	N/A	Prostenik, Stanacev, et al., 1962	Uncertainty assigned by TRC = 4. K
Quantity	Value	Units	Method	Reference	Comment
T_fus	309.	K	N/A	Reindel, Weickmann, et al., 1940	Uncertainty assigned by TRC = 4. K; not clear that it was author's measurement
T_fus	309.	K	N/A	Le Sueur, 1904	Uncertainty assigned by TRC = 4. K

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:

Gas Chromatography

Go To: Top, Phase change data, References, Notes

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

Kovats' RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	DB-1	1897.	Takeoka, Perrino, et al., 1996	60. m/0.25 mm/0.25 μm, 30. C @ 4. min, 2. K/min; T_end: 220. C
Capillary	DB-1	1898.	Takeoka, Perrino, et al., 1996	60. m/0.25 mm/0.25 μm, 30. C @ 4. min, 2. K/min; T_end: 220. C
Capillary	OV-101	1880.	Ohnishi and Shibamoto, 1984	2. K/min; Column length: 50. m; Column diameter: 0.23 mm; T_start: 80. C; T_end: 200. C
Capillary	OV-101	1880.	Ohnishi and Shibamoto, 1984	2. K/min; Column length: 50. m; Column diameter: 0.23 mm; T_start: 80. C; T_end: 200. C

Kovats' RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5	1920.	Palic, Stojanovic, et al., 2002	30. m/0.25 mm/0.25 μm, He; Program: 50 C 20 C/min -> 70 C 9 C/min -> 280 C
Capillary	HP-5	1920.	Stojanovic, Palic, et al., 2000	30. m/0.25 mm/0.25 μm, He; Program: 50 0C 20 K/min -> 70 0C 9 K/min -> 280 0C

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	5 % Phenyl methyl siloxane	1937.	Zaikin, 2010	30. m/0.25 mm/0.25 μm, 15. K/min, 270. C @ 15. min; T_start: 60. C
Capillary	SPB-1	1895.	Chisholm, Jell, et al., 2003	30. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 4. K/min, 225. C @ 20. min
Capillary	OV-101	1894.	Yang, Sugisawa, et al., 1992	N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; T_start: 80. C; T_end: 200. C
Capillary	OV-101	1895.	Yang, Sugisawa, et al., 1992	N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; T_start: 80. C; T_end: 200. C

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5	1903.	Pavlovic, Petrovic, et al., 2007	25. m/0.32 mm/0.52 μm, Helium, 4. K/min; T_start: 40. C; T_end: 280. C
Capillary	HP-5MS	1922.	Tkachev, Dobrotvorsky, et al., 2000	30. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 10. K/min, 280. C @ 20. min
Capillary	OV-101	1894.	Tamura, Yang, et al., 1993	2. K/min; Column length: 50. m; Column diameter: 0.25 mm; T_start: 80. C; T_end: 200. C
Capillary	OV-101	1895.	Tamura, Yang, et al., 1993	2. K/min; Column length: 50. m; Column diameter: 0.25 mm; T_start: 80. C; T_end: 200. C
Capillary	Ultra-1	1898.	Okumura, 1991	25. m/0.32 mm/0.25 μm, He, 3. K/min; T_start: 80. C; T_end: 260. C
Capillary	OV-101	1895.	Sugisawa, Yamamoto, et al., 1989	N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; T_start: 80. C; T_end: 200. C
Capillary	SE-54	1913.	Bestmann, Classen, et al., 1988	N2, 60. C @ 2. min, 6. K/min; Column length: 25. m; Column diameter: 0.25 mm; T_end: 260. C

Normal alkane RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	BPX-5	1930.	Madruga, Arruda, et al., 2000	50. m/0.32 mm/0.50 μm, Helium; Program: 40 0C (5 min) 20 0C/min -> 60 0C (5 min) 4 0C/min -> 250 0C (10 min)

Normal alkane RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	2247.	Choi, 2006	60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
Capillary	DB-Wax	2249.	Choi, 2004	60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min

References

Go To: Top, Phase change data, Gas Chromatography, Notes

Prostenik, Stanacev, et al., 1962
Prostenik; Stanacev; Munk-Weinert, Croat. Chem. Acta, 1962, 34, 1. [all data]

Reindel, Weickmann, et al., 1940
Reindel, F.; Weickmann, A.; Picard, S.; Luber, K.; Turla, P., Fungus Cerebrin, Ann., 1940, 544, 116-37. [all data]

Le Sueur, 1904
Le Sueur, H.R., J. Chem. Soc., 1904, 85, 827. [all data]

Takeoka, Perrino, et al., 1996
Takeoka, G.; Perrino, C., Jr.; Buttery, R., Volatile constituents of used frying oils, J. Agric. Food Chem., 1996, 44, 3, 654-660, https://doi.org/10.1021/jf950430m . [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]

Palic, Stojanovic, et al., 2002
Palic, R.; Stojanovic, G.; Alagic, S.; Nikolic M.; Lepojevic, Z., Chemical composition and antimicrobial activity of the essential oil and CO₂ extracts of the oriental tobacco, Prilep, Flavour Fragr. J., 2002, 17, 5, 323-326, https://doi.org/10.1002/ffj.1084 . [all data]

Stojanovic, Palic, et al., 2000
Stojanovic, G.; Palic, R.; Alagic, S.; Zekovic, Z., Chemical composition and antimicrobial activity of the essential oil and CO₂ extracts of semi-oriental tobacco, Otlja, Flavour Fragr. J., 2000, 15, 5, 335-338, https://doi.org/10.1002/1099-1026(200009/10)15:5<335::AID-FFJ921>3.0.CO;2-W . [all data]

Zaikin, 2010
Zaikin, V.G., Personal communication: Retention indices measured during 2010, 2010. [all data]

Chisholm, Jell, et al., 2003
Chisholm, M.G.; Jell, J.A.; Cass, D.M., Jr., Characterization of the major odorants found in the peel oil of Citrus reticulata Blanco cv. Clementine using gas chromatography-olfactometry, Flavour Fragr. J., 2003, 18, 4, 275-281, https://doi.org/10.1002/ffj.1188 . [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]

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]

Tkachev, Dobrotvorsky, et al., 2000
Tkachev, A.V.; Dobrotvorsky, A.K.; Vjalkov, A.I.; Morozov, S.V., Chemical composition of lipophylic compounds from the body surface of unfed adult Ixodes persulcatus ticks (Acari: Ixodidae), Experimental and Applied Acarology, 2000, 24, 2, 145-158, https://doi.org/10.1023/A:1006430323587 . [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]

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]

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]

Bestmann, Classen, et al., 1988
Bestmann, H.-J.; Classen, B.; Kobold, U.; Vostrowsky, O.; Klingauf, F.; Stein, U., Steam volatile constituents from leaves of Rhus typhina, Phytochemistry, 1988, 27, 1, 85-90, https://doi.org/10.1016/0031-9422(88)80595-8 . [all data]

Madruga, Arruda, et al., 2000
Madruga, M.S.; Arruda, S.G.B.; Narain, N.; Souza, J.G., Castration and slaughter age effects on panel assessment and aroma compounds of the mestico goat meat, Meat Sci., 2000, 56, 2, 117-125, https://doi.org/10.1016/S0309-1740(00)00025-5 . [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]

Choi, 2004
Choi, H.-S., Aroma evaluation of an aquatic herb, changpo (Acorus calamus Var. angustatus Bess), by AEDA and SPME, J. Agric. Food Chem., 2004, 52, 26, 8099-8104, https://doi.org/10.1021/jf040239p . [all data]

Notes

Go To: Top, Phase change data, Gas Chromatography, References

Symbols used in this document:

T_boil Boiling point

T_fus Fusion (melting) point
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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T_boil	Boiling point
T_fus	Fusion (melting) point