Squalane
- Formula: C30H62
- Molecular weight: 422.8133
- IUPAC Standard InChIKey: PRAKJMSDJKAYCZ-UHFFFAOYSA-N
- CAS Registry Number: 111-01-3
- 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: Tetracosane, 2,6,10,15,19,23-hexamethyl-; Cosbiol; Dodecahydrosqualene; Perhydrosqualene; Robane; Spinacane; Squalan; Vitabiosol; 2,6,10,15,19,23-Hexamethyltetracosane; Hexamethyltetracosane; Squalane N; NSC 6851
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IR Spectrum
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
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Origin | NIST Mass Spectrometry Data Center |
State | gas |
Instrument | HP-GC/MS/IRD |
Mass spectrum (electron ionization)
Go To: Top, IR Spectrum, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
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Origin | D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY |
NIST MS number | 62218 |
Gas Chromatography
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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 | SE-30 | 240. | 2665. | Pozhidaev, Berezkin, et al., 1988 | He; Column length: 17.5 m; Column diameter: 0.21 mm |
Capillary | SE-30 | 240. | 2666. | Pozhidaev, Berezkin, et al., 1988 | He; Column length: 17.5 m; Column diameter: 0.21 mm |
Capillary | SE-30 | 240. | 2666. | Pozhidaev, Berezkin, et al., 1988 | He; Column length: 17.5 m; Column diameter: 0.21 mm |
Capillary | SE-30 | 240. | 2667. | Pozhidaev, Berezkin, et al., 1988 | He; Column length: 17.5 m; Column diameter: 0.21 mm |
Capillary | SE-30 | 260. | 2665. | Pozhidaev, Berezkin, et al., 1988 | He; Column length: 17.5 m; Column diameter: 0.21 mm |
Capillary | SE-30 | 260. | 2666. | Pozhidaev, Berezkin, et al., 1988 | He; Column length: 17.5 m; Column diameter: 0.21 mm |
Capillary | SE-30 | 260. | 2666. | Pozhidaev, Berezkin, et al., 1988 | He; Column length: 17.5 m; Column diameter: 0.21 mm |
Capillary | SE-30 | 260. | 2666. | Pozhidaev, Berezkin, et al., 1988 | He; Column length: 17.5 m; Column diameter: 0.21 mm |
Capillary | SE-52 | 240. | 2657. | Pozhidaev, Berezkin, et al., 1988 | He; Column length: 17.5 m; Column diameter: 0.21 mm |
Capillary | SE-52 | 240. | 2657. | Pozhidaev, Berezkin, et al., 1988 | He; Column length: 17.5 m; Column diameter: 0.21 mm |
Capillary | SE-52 | 260. | 2658.1 | Pozhidaev, Berezkin, et al., 1988 | He; Column length: 17.5 m; Column diameter: 0.21 mm |
Capillary | SE-52 | 260. | 2658.5 | Pozhidaev, Berezkin, et al., 1988 | He; Column length: 17.5 m; Column diameter: 0.21 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 2660. | Zhao, Wang X.Y., et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 10. K/min; Tend: 260. C |
Capillary | SE-30 | 2664.4 | Pozhidaev, Berezkin, et al., 1988 | He, 2. K/min; Column length: 17.5 m; Column diameter: 0.21 mm; Tstart: 100. C; Tend: 280. C |
Capillary | SE-52 | 2656.1 | Pozhidaev, Berezkin, et al., 1988 | He, 2. K/min; Column length: 17.5 m; Column diameter: 0.21 mm; Tstart: 100. C; Tend: 280. C |
Capillary | Ultra-1 | 2663. | Tokuda, Saitoh, et al., 1988 | 12.5 m/0.20 mm/0.11 μm, He, 5. K/min, 325. C @ 5. min; Tstart: 120. C |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | SE-52 | 240. | 2657. | Pozhidaev, Berezkin, et al., 1988 | He; Column length: 17.5 m; Column diameter: 0.21 mm |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-30 | 2668. | Pozhidaev, Berezkin, et al., 1987 | He, 6. K/min; Column length: 25. m; Column diameter: 0.21 mm; Tstart: 40. C; Tend: 280. C |
Capillary | Apiezon L | 2630. | Shlyakhov, 1984 | 2. K/min; Tstart: 130. C; Tend: 300. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP Sil 5 CB | 2663. | 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 | Apiezon | 2630. | Petrov, 1984 | Program: not specified |
Capillary | Apiezon | 2632. | Petrov, 1984 | Program: not specified |
References
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Pozhidaev, Berezkin, et al., 1988
Pozhidaev, V.M.; Berezkin, V.G.; Korolev, A.A.; Popova, T.P.; Pozhidaeva, K.A.,
Retention indices of polycyclic aromatic hydrocarbons on quartz capillary columns with chemically immobilized stationary phases,
Zh. Anal. Khim., 1988, 43, 1082-1088. [all data]
Zhao, Wang X.Y., et al., 2006
Zhao, Y.P.; Wang X.Y.; Wang, Z.C.; Lu Y.; Fu, C.X.; Chen, S.Y.,
Essential oil of Actinidia macrosperma, a catnip response kiwi endemic to China,
Journal of Zhejiang University SCIENCE B, 2006, 7, 9, 708-712, https://doi.org/10.1631/jzus.2006.B0708
. [all data]
Tokuda, Saitoh, et al., 1988
Tokuda, H.; Saitoh, E.; Kimura, Y.; Takano, S.,
Automated analysis of various compounds with a wide range of boiling points by capillary gas chromatgraphy based on retention indices,
J. Chromatogr., 1988, 454, 109-120, https://doi.org/10.1016/S0021-9673(00)88606-9
. [all data]
Pozhidaev, Berezkin, et al., 1987
Pozhidaev, V.M.; Berezkin, V.G.; Korolev, A.A.; Popova, T.P.; Pozhideava,
Capillary chromatography of polycyclic aromatic hydrocarbons on a home-produced capillary column with immobilized stationary liquid phase SE-30,
Zh. Anal. Khim., 1987, 62, 12, 2222-2226. [all data]
Shlyakhov, 1984
Shlyakhov, A.F.,
Gas chromatography in organic geochemistry, Nedra, Moscow, 1984, 221. [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]
Petrov, 1984
Petrov, A.A.,
Hydrocarbons of petroleum, Nauka (publishing house), Moscow, 1984, 263. [all data]
Notes
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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