3,7-dimethyl-heptacosane

Formula: C₂₉H₆₀
Molecular weight: 408.7867
IUPAC Standard InChI: InChI=1S/C29H60/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-29(4)27-24-26-28(3)6-2/h28-29H,5-27H2,1-4H3
IUPAC Standard InChIKey: JVMGJGOHLJIIKD-UHFFFAOYSA-N
Chemical structure:
This structure is also available as a 2d Mol file
Other names: Heptacosane, 3,7-dimethyl
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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	2808.	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	2800.	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

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

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Column type	Active phase	I	Reference	Comment
Capillary	DB-1	2810.	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	DB-1	2809.	Katritzky, Chen, et al., 2000	30. m/0.32 mm/0.25 μm; T_start: 60. C; T_end: 320. C
Capillary	BP-1	2808.	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	2809.	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

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

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Column type	Active phase	I	Reference	Comment
Capillary	Methyl Silicone	2811.	Sullivan, 2002	Program: not specified

References

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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]

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]

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 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]

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]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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