3-Methylheptacosane

Formula: C₂₈H₅₈
Molecular weight: 394.7601
IUPAC Standard InChI: InChI=1S/C28H58/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(3)5-2/h28H,4-27H2,1-3H3
IUPAC Standard InChIKey: NTRHFQVDDLHZMZ-UHFFFAOYSA-N
CAS Registry Number: 14167-66-9
Chemical structure:
This structure is also available as a 2d Mol file
Other names: Heptacosane, 3-methyl-; 3-Methyl-n-heptacosane
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Gas Chromatography

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

Kovats' RI, non-polar column, isothermal

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	DB-1	250.	2772.	Szafranek, Malinski, et al., 2001	Ar; Column length: 30. m; Column diameter: 0.28 mm
Capillary	OV-1	255.	2775.	Hebanowska, Malinski, et al., 1989	Ar; Column length: 30. m; Phase thickness: 0.1 μm
Capillary	Dexsil 300	255.	2772.	Hebanowska, Malinski, et al., 1989	Ar; Column length: 30. m; Phase thickness: 0.1 μm

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

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Column type	Active phase	I	Reference	Comment
Capillary	DB-5MS	2773.	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	DB-5MS	2771.	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	DB-5	2773.	Ruther, Sieben, et al., 1998	30. m/0.32 mm/0.25 μm, He, 3. K/min; T_start: 150. C; T_end: 280. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	2771.6	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-5	2775.	Zaikin and Borisov, 2002	He; Column length: 30. m; Column diameter: 0.25 mm; Program: 30C => 5K/min=120C => 10C/min => 270C
Capillary	DB-1	2775.	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	OV-1	2776.1	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	2770.	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-5	2775.	Juárez, Blomquist, et al., 2001	He, 3. K/min; Column length: 30. m; Column diameter: 0.32 mm; T_start: 200. C; T_end: 280. C
Capillary	DB-1	2774.	Katritzky, Chen, et al., 2000	30. m/0.32 mm/0.25 μm; T_start: 60. C; T_end: 320. C
Capillary	OV-1	2775.	Szafranek, Malinski, et al., 1994	Ar, 2. K/min; Column length: 40. m; T_start: 200. C; T_end: 310. C
Capillary	OV-1	2775.	Hebanowska, Malinski, et al., 1990	2. K/min; Column length: 40. m; Column diameter: 0.25 mm; T_start: 140. C; T_end: 300. C
Capillary	BP-1	2772.	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	2773.	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	2774.	Lockey and Dularay, 1986	25. m/0.25 mm/0.25 μm, Helium, 1.5 K/min; T_start: 160. C; T_end: 300. C
Capillary	BP-1	2779.	Lockey and Dularay, 1986	25. m/0.25 mm/0.25 μm, Helium, 1.5 K/min; T_start: 160. C; T_end: 300. C
Capillary	Dexsil 300	2773.	Lockey, 1978	5. K/min; Column length: 15. m; T_start: 50. C; T_end: 370. C
Capillary	Dexsil 300	2775.	Lockey, 1978	5. K/min; Column length: 15. m; T_start: 50. C; T_end: 370. C
Capillary	Dexsil 300	2772.	Lockey, 1978, 2	2. K/min; Column length: 15. m; T_start: 240. C; T_end: 330. C
Capillary	Dexsil 300	2772.	Lockey, 1978, 2	2. K/min; Column length: 15. m; T_start: 240. C; T_end: 330. C
Packed	Dexsil 300	2773.	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

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Column type	Active phase	I	Reference	Comment
Capillary	Polydimethyl siloxane	2774.	Junkes, Castanho, et al., 2003	Program: not specified
Capillary	Methyl Silicone	2774.	Sullivan, 2002	Program: not specified
Capillary	DB-1	2775.	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	2772.	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	2784.	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

Szafranek, Malinski, et al., 2001
Szafranek, B.; Malinski, E.; Nawrot, J.; Sosnowska, D.; Ruszkowska, M.; Pihlaja, K.; Trumpakaj, Z.; Szafranek, J., In Vitro effects of cuticular lipids of the aphids Sitobion avenae, Hyalopterus pruni and Brevicoryne brassicae on growth and sporulation of the Paecilomyces fumosoroseus and Beauveria bassiana, Arkivoc, 2001, 2001, 3, 81-94, https://doi.org/10.3998/ark.5550190.0002.311 . [all data]

Hebanowska, Malinski, et al., 1989
Hebanowska, E.; Malinski, E.; Dubis, E.; Pihlaja, K.; Oksman, P.; Winamaki, K.; Nawrot, J.; Szafranek, J., The composition of cuticular hydrocarbons of the Tribolium destructor, Comp. Biochem. Physiol. B: Comp. Biochem., 1989, 93, 2, 437-442. [all data]

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]

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]

Ruther, Sieben, et al., 1998
Ruther, J.; Sieben, S.; Schricker, B., Role of cuticular lipids in nestmate recognition of the European hornet Vespa crabro L. (Hymenoptera, Vespidae), Insectes Soc., 1998, 45, 2, 169-179, https://doi.org/10.1007/s000400050077 . [all data]

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

Zaikin and Borisov, 2002
Zaikin, V.G.; Borisov, R.S., Chromatographic-mass spectrometric analysis of Fishcer-Tropsch synthesis products, J. Anal. Chem. USSR (Engl. Transl.), 2002, 57, 6, 544-551. [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]

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]

Juárez, Blomquist, et al., 2001
Juárez, P.; Blomquist, G.J.; Schofield, C.J., Hydrocarbons of Rhodnius prolixus, a Chagas disease vector, Comp. Biochem. Physiol. B: Comp. Biochem., 2001, 129, 4, 733-746, https://doi.org/10.1016/S1096-4959(01)00380-3 . [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]

Szafranek, Malinski, et al., 1994
Szafranek, J.; Malinski, E.; Dubis, E.; Hebanowska, E.; Nawrot, J.; Oksman, P.; Pihlaja, K., Identification of branched alkanes in lipids of Leptinotarsa decemlineata say and Tribolium destructor by GC-MS: a comparison of main-beam and link-scanned spectra, J. Chem. Ecol., 1994, 20, 9, 2197-2212, https://doi.org/10.1007/BF02033197 . [all data]

Hebanowska, Malinski, et al., 1990
Hebanowska, E.; Malinski, E.; Dubis, E.; Oksman, P.; Pihlaja, K.; Nawrot, J.; Szafranek, J., The cuticular hydrocarbons of the larvae of Anagasta kuehniella Z., Comp. Biochem. Physiol. B: Comp. Biochem., 1990, 95, 4, 699-703. [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 and Dularay, 1986
Lockey, K.H.; Dularay, B., Cuticular methylalkanes of adult cockroaches, Blatta orientalis and Periplaneta Americana, Comp. Biochem. Physiol., 1986, 85B, 3, 567-572. [all data]

Lockey, 1978
Lockey, K.H., The adult cuticular hydrocarbons of Tenebrio Molitor L. and Tenebrio Obscurus F. (Coleoptera: Tenebrionidae), Insect Biochem., 1978, 8, 4, 237-250, https://doi.org/10.1016/0020-1790(78)90032-X . [all data]

Lockey, 1978, 2
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]

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

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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