1-Butanone, 1-phenyl-

Formula: C₁₀H₁₂O
Molecular weight: 148.2017
IUPAC Standard InChI: InChI=1S/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
IUPAC Standard InChIKey: FFSAXUULYPJSKH-UHFFFAOYSA-N
CAS Registry Number: 495-40-9
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: Butyrophenone; n-Butyrophenone; Phenyl propyl ketone; Propyl phenyl ketone; 1-Phenyl-1-butanone
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Gas Chromatography

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

Kovats' RI, non-polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Packed	Apiezon L	130.	1240.	Wehrli and Kováts, 1959	Celite; Column length: 2.25 m

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

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Column type	Active phase	I	Reference	Comment
Capillary	DB-5	1253.	Su, Ho, et al., 2006	30. m/0.25 mm/0.25 μm, He, 50. C @ 2. min, 5. K/min; T_end: 250. C
Capillary	HP-5	1285.	Solina, Baumgartner, et al., 2005	25. m/0.2 mm/1. μm, He, 5. K/min, 280. C @ 5. min; T_start: 40. C
Capillary	Ultra-2	1267.9	Akporhonor, le Vent, et al., 1990	25. m/0.2 mm/0.33 μm, N2, 15. K/min; T_start: 60.01 C
Capillary	Ultra-2	1252.2	Akporhonor, le Vent, et al., 1990	25. m/0.2 mm/0.33 μm, N2, 2. K/min; T_start: 60.01 C
Capillary	Ultra-2	1261.	Akporhonor, le Vent, et al., 1990	25. m/0.2 mm/0.33 μm, N2, 7. K/min; T_start: 60.01 C
Capillary	Ultra-2	1275.6	Akporhonor, le Vent, et al., 1990	25. m/0.2 mm/0.33 μm, N2, 15. K/min; T_start: 120.01 C
Capillary	Ultra-2	1265.3	Akporhonor, le Vent, et al., 1990	25. m/0.2 mm/0.33 μm, N2, 2. K/min; T_start: 120.01 C
Capillary	Ultra-2	1270.2	Akporhonor, le Vent, et al., 1990	25. m/0.2 mm/0.33 μm, N2, 7. K/min; T_start: 120.01 C

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

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5	1259.	Splivallo, Bossi, et al., 2007	He; Program: 50C => 3C/min => 200C(10min) => 10C/min => 290C(10min)
Capillary	Methyl Silicone	1240.	N/A	Program: not specified

Normal alkane RI, polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	1793.	Gyawali and Kim, 2012	60. m/0.20 mm/0.25 μm, Helium; Program: 40 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 220 0C (20 min) 5 0C/min -> 230 0C
Capillary	DB-Wax	1792.	Kim. J.H., Ahn, et al., 2004	60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C

References

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Wehrli and Kováts, 1959
Wehrli, A.; Kováts, E., Gas-chromatographische Charakterisierung ogranischer Verbindungen. Teil 3: Berechnung der Retentionsindices aliphatischer, alicyclischer und aromatischer Verbindungen, Helv. Chim. Acta, 1959, 7, 7, 2709-2736, https://doi.org/10.1002/hlca.19590420745 . [all data]

Su, Ho, et al., 2006
Su, Y.-C.; Ho, C.-L.; Wang, E.I.-C.; Chang, S.-T., Antifungal activities and chemical compositions of essential oils from leaves of four eucalypts, Taiwan J. For. Sci., 2006, 21, 1, 49-61. [all data]

Solina, Baumgartner, et al., 2005
Solina, M.; Baumgartner, P.; Johnson, R.L.; Whitfield, F.B., Volatile aroma components of soy protein isolate and acid-hydrolysed vegetable protein, Food Chem., 2005, 90, 4, 861-873, https://doi.org/10.1016/j.foodchem.2004.06.005 . [all data]

Akporhonor, le Vent, et al., 1990
Akporhonor, E.E.; le Vent, S.; Taylor, D.R., Calculation of programmed temperature gas chromatographic characteristics from isothermal data. III. Predicted retention indices and equivalent temperatures, J. Chromatogr., 1990, 504, 269-278, https://doi.org/10.1016/S0021-9673(01)89532-7 . [all data]

Splivallo, Bossi, et al., 2007
Splivallo, R.; Bossi, S.; Maffei, M.; Bonfante, P., Discrimination of truffle fruiting body versus mycelial aromas by stir bar sorptive extraction, Phytochemistry, 2007, 68, 20, 2584-2598, https://doi.org/10.1016/j.phytochem.2007.03.030 . [all data]

Gyawali and Kim, 2012
Gyawali, R.; Kim, K.-S., Bioactive volatile compounds of three medicinal plants from Nepal, Kathmandu Univ. J. Sci., Engineering and Technol., 2012, 8, 1, 51-62. [all data]

Kim. J.H., Ahn, et al., 2004
Kim. J.H.; Ahn, H.J.; Yook, H.S.; Kim, K.S.; Rhee, M.S.; Ryu, G.H.; Byun, M.W., Color, flavor, and sensory characteristics of gamma-irradiated salted and fermented anchovy sauce, Radiation Phys. Chem., 2004, 69, 2, 179-187, https://doi.org/10.1016/S0969-806X(03)00400-6 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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