Nonacosane, 3-methyl-

Formula: C₃₀H₆₂
Molecular weight: 422.8133
IUPAC Standard InChI: InChI=1S/C30H62/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(3)5-2/h30H,4-29H2,1-3H3
IUPAC Standard InChIKey: DCKPETUZJQNEBD-UHFFFAOYSA-N
CAS Registry Number: 14167-67-0
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: 3-Methylnonacosane
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Gas Chromatography

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

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

Column type	Active phase	I	Reference	Comment
Capillary	DB-5MS	2972.	Steiner, Steidle, et al., 2005	30. m/0.32 mm/0.25 μm, He, 2. K/min; T_start: 150. C; T_end: 300. C
Capillary	Ultra-1	2970.	Nelson, Adams, et al., 2003	150. C @ 4. min, 4. K/min, 320. C @ 30. min; Column length: 12. m; Column diameter: 0.2 mm
Capillary	DB-5MS	2972.	Steinmetz, Schmolz, et al., 2003	30. m/0.32 mm/0.25 μm, He, 3. K/min; T_start: 150. C; T_end: 280. C
Capillary	HT-5	2972.	Goh S.H., Ooi K.E., et al., 1993	25. m/0.53 mm/0.22 μm, N2, 15. K/min, 320. C @ 20. min; T_start: 150. C
Capillary	HT-5	2970.	Goh S.H., Ooi K.E., et al., 1993	25. m/0.53 mm/0.22 μm, N2, 15. K/min, 320. C @ 20. min; T_start: 150. C

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	2958.3	Andriamaharavo, 2014	30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)
Capillary	HP-5MS	2972.4	Andriamaharavo, 2014	30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)
Capillary	DB-1	2975.	Bernier, Carlson, et al., 1998	30. m/0.32 mm/0.25 μm; Program: 60C (2min) => 10C/min => 220C => 3C/min => 310C
Capillary	DB-1	2975.	Sutton and Carlson, 1993	He; Column length: 30. m; Column diameter: 0.25 mm; Program: 60C => 20C/min => 230C => 5C/min => 330C

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	SPB-1	2973.	Lazarevic, Palic, et al., 2010	30. m/0.25 mm/0.25 μm, Helium, 50. C @ 3. min, 5. K/min, 250. C @ 15. min
Capillary	OV-1	2976.4	Krkosova, Kubinec, et al., 2007	100. m/0.32 mm/0.25 μm, Helium, 5. K/min, 310. C @ 5. min; T_start: 30. C
Capillary	Ultra-1	2970.	Nelson and Charlet, 2003	He, 4. K/min; Column length: 12.5 m; Column diameter: 0.2 mm; T_start: 150. C; T_end: 320. C
Capillary	DB-1	2974.	Katritzky, Chen, et al., 2000	30. m/0.32 mm/0.25 μm; T_start: 60. C; T_end: 320. C
Capillary	BP-1	2971.	Lockey and Oraha, 1990	12. m/0.22 mm/0.25 μm, Helium, 2. K/min; T_start: 100. C; T_end: 300. C
Capillary	BP-1	2972.	Lockey and Oraha, 1990	12. m/0.22 mm/0.25 μm, Helium, 2. K/min; T_start: 100. C; T_end: 300. C
Capillary	Dexsil 300	2973.	Lockey, 1978	2. K/min; Column length: 15. m; T_start: 240. C; T_end: 330. C
Capillary	Dexsil 300	2974.	Lockey, 1978	2. K/min; Column length: 15. m; T_start: 240. C; T_end: 330. C
Packed	Dexsil 300	2973.	Lockey, 1976	Nitrogen, Chromosorb W (80-100 mesh), 3.3 K/min; Column length: 2. m; T_start: 80. C; T_end: 340. C

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary		2975.	Lapointe, Hunter, et al., 2004	Program: not specified
Capillary	Polydimethyl siloxane	2974.	Junkes, Castanho, et al., 2003	Program: not specified
Capillary	Methyl Silicone	2976.	Sullivan, 2002	Program: not specified
Capillary	DB-1	2975.	Carlson, Geden, et al., 1999	30. m/0.32 mm/0.25 μm, He; Program: 60C (2min) => 10C/min => 220C => 3C/min => 310C (12 - 42 min)
Capillary	CP Sil 5 CB	2973.	Kenig, Sinninghe Damsté, et al., 1995	25. m/0.32 mm/0.2 μm, He; Program: 50C => 20C/min => 130C => 4C/min => 300C (20min)
Capillary	Dexsil 300	2966.	Lockey, 1981	Column length: 15. m; Program: 50 0C 5 0C/min -> 200 0C 2 0C/min -> 340 0C
Capillary	Dexsil 300	2973.	Lockey, 1981	Column length: 15. m; Program: 50 0C 5 0C/min -> 200 0C 2 0C/min -> 340 0C

References

Go To: Top, Gas Chromatography, Notes

Steiner, Steidle, et al., 2005
Steiner, S.; Steidle, J.L.M.; Ruther, J., Female sex pheromone in immature insect males - a case of pre-emergence chemical mimicry?, Behavioral Ecology and Sociobiology, 2005, 58, 2, 111-120, https://doi.org/10.1007/s00265-005-0930-x . [all data]

Nelson, Adams, et al., 2003
Nelson, D.R.; Adams, T.S.; Fatland, C.L., Hydrocarbons in the surface wax of eggs and adults of the Colorado potato beetle, Leptinotarsa decemlineata, Comp. Biochem. Physiol. B: Comp. Biochem., 2003, 134, 3, 447-466, https://doi.org/10.1016/S1096-4959(02)00262-2 . [all data]

Steinmetz, Schmolz, et al., 2003
Steinmetz, I.; Schmolz, E.; Ruther, J., Cuticular lipids as trail pheromone in a social wasp, Proc. R. Soc. London B:, 2003, 270, 1513, 385-391, https://doi.org/10.1098/rspb.2002.2256 . [all data]

Goh S.H., Ooi K.E., et al., 1993
Goh S.H.; Ooi K.E.; Chuah C.H.; Yong H.S.; Khoo S.G.; Ong S.H., Cuticular hydrocarbons from two species of Malaysian Bactrocera fruit flies, Biochem. Syst. Ecol., 1993, 21, 2, 215-226, https://doi.org/10.1016/0305-1978(93)90039-T . [all data]

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Bernier, Carlson, et al., 1998
Bernier, U.R.; Carlson, D.A.; Geden, C.J., Gas chromatography/mass spectrometry analysis of the cuticular hydrocarbons from parasitic wasps of the genus Muscidifurax, J. Am. Soc. Mass Spectrom., 1998, 9, 4, 320-332, https://doi.org/10.1016/S1044-0305(97)00288-2 . [all data]

Sutton and Carlson, 1993
Sutton, B.D.; Carlson, D.A., Interspecific variation in tephritid fruit fly larvae surface hydrocarbons, Arch. Insect Biochem. Physiol., 1993, 23, 2, 53-65, https://doi.org/10.1002/arch.940230202 . [all data]

Lazarevic, Palic, et al., 2010
Lazarevic, J.S.; Palic, R.V.M.; Radulovic, N.S.; Ristic, N.R.; Stojanovic, G.S., Chemical composition and screening of the antimicrobial and antioxidative acrivity of extracts of Stachys species, J. Serb. Chem. Soc., 2010, 75, 10, 1347-1359, https://doi.org/10.2298/JSC100601117L . [all data]

Krkosova, Kubinec, et al., 2007
Krkosova, Z.; Kubinec, R.; Addova, G.; Jurdakova, H.; Blasko, J.; Ostrovsky, I.; Sojak, L., Gas chromatographic - mass spectrometric characterization of monomethylalkanes from fuel diesel, Petroleum Coal, 2007, 49, 3, 51-62. [all data]

Nelson and Charlet, 2003
Nelson, D.R.; Charlet, L.D., Cuticular hydrocarbons of the sunflower beetle,Zygogramma exclamationis, Comp. Biochem. Physiol. B: Comp. Biochem., 2003, 135, 2, 273-284, https://doi.org/10.1016/S1096-4959(03)00080-0 . [all data]

Katritzky, Chen, et al., 2000
Katritzky, A.R.; Chen, K.; Maran, U.; Carlson, D.A., QSPR Correlation and predictions of GC retention indexes for methyl-branched hydrocarbons produced by insects, Anal. Chem., 2000, 72, 1, 101-109, https://doi.org/10.1021/ac990800w . [all data]

Lockey and Oraha, 1990
Lockey, K.H.; Oraha, V.S., Cuticular lipids of adult Locusta Migratoria Migratoriodes (R and F), Schstocerca Gregaria (Forskal) (Acrididae) and other orthopteran species - II. Hydrocarbons, Comp. Biochem. Physiol., 1990, 95B, 4, 721-744. [all data]

Lockey, 1978
Lockey, K.H., Hydrocarbons of adult Tribolum castaneum Hbst. and Tribolium confusum duv. (Coleoptera: Tenebrionidae), Comparative Biochem. Physiol., 1978, 61B, 401-407. [all data]

Lockey, 1976
Lockey, K.H., Cuticular hydrocarbons of Locusta, Schistocerca, and Periplaneta, and their role in waterproofing, Insect Biochem., 1976, 6, 5, 457-472, https://doi.org/10.1016/0020-1790(76)90068-8 . [all data]

Lapointe, Hunter, et al., 2004
Lapointe, S.L.; Hunter, W.B.; Alessandro, R.T., Cuticular hydrocarbons on elytra of the Diaprepes root weevil Diaprepes abbreviatus (L.) (Coleoptera: Curculionidae), Agric. For. Entomol., 2004, 6, 4, 251-257, https://doi.org/10.1111/j.1461-9555.2004.00230.x . [all data]

Junkes, Castanho, et al., 2003
Junkes, B.S.; Castanho, R.D.M.; Amboni, C.; Yunes, R.A.; Heinzen, V.E.F., Semiempirical Topological Index: A Novel Molecular Descriptor for Quantitative Structure-Retention Relationship Studies, Internet Electronic Journal of Molecular Design, 2003, 2, 1, 33-49. [all data]

Sullivan, 2002
Sullivan, B.T., Evidence for a sex pheromone in bark beetle parasitoid Roptrpcerus xylophagorum, J. Chem. Ecology, 2002, 28, 5, 1045-1063, https://doi.org/10.1023/A:1015270003717 . [all data]

Carlson, Geden, et al., 1999
Carlson, D.A.; Geden, C.J.; Bernier, U.R., Identification of pupal exiviae of Nasania vitripennis and Muscidifurax raptorellus parasitoids using cuticular hydrocarbons, Biol. Control, 1999, 15, 2, 97-106, https://doi.org/10.1006/bcon.1999.0708 . [all data]

Kenig, Sinninghe Damsté, et al., 1995
Kenig, F.; Sinninghe Damsté, J.S.; Kock-van Dalen, A.C.; Rijpstra, W.I.C.; Huc, A.Y.; de Leeuw, J.W., Occurrence and origin of mono-, di-, and trimethylalkanes in modern and holocene cyanobacterial mats from Abu Dhabi, United Arab Emirates, Geochim. Cosmochim. Acta, 1995, 59, 14, 2999-3015, https://doi.org/10.1016/0016-7037(95)00190-5 . [all data]

Lockey, 1981
Lockey, K.H., Cuticular hydrocarbons of adult Cylindrinotus laevioctostriatus (Goeze) and Phylan gibbus (Fabricius) (Coleoptera: Tenebrionidae), Insect. Biochem., 1981, 11, 5, 549-561, https://doi.org/10.1016/0020-1790(81)90023-8 . [all data]

Notes

Go To: Top, Gas Chromatography, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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