2-Cyclopenten-1-one, 2-hydroxy-

Formula: C₅H₆O₂
Molecular weight: 98.0999
IUPAC Standard InChI: InChI=1S/C5H6O2/c6-4-2-1-3-5(4)7/h2,6H,1,3H2
IUPAC Standard InChIKey: WOPKYMRPOKFYNI-UHFFFAOYSA-N
CAS Registry Number: 10493-98-8
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: 2-Hydroxycyclopent-2-en-1-one; 2-Hydroxy-2-cyclopenten-1-one
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Other data available:
- Mass spectrum (electron ionization)
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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	OV-101	919.	Mihara and Nishimura, 1989	N2, 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; T_start: 80. C; T_end: 200. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	CP-WAX 57CB	1761.	Baltes and Mevissen, 1988	He, 50. C @ 5. min, 2. K/min; Column length: 50. m; Column diameter: 0.24 mm; T_end: 210. C

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5	927.	Piyachaiseth, Jirapakkul, et al., 2011	60. m/0.25 mm/0.25 μm, Helium, 35. C @ 1. min, 10. K/min, 220. C @ 15. min
Capillary	ZB-5	926.	Harrison and Priest, 2009	30. m/0.25 mm/0.25 μm, Helium, 40. C @ 1. min, 6. K/min, 280. C @ 9. min
Capillary	HP-1	905.	Antoniotti, Alezra, et al., 2004	50. m/0.2 mm/0.33 μm, 2. K/min, 250. C @ 10. min; T_start: 60. C

Normal alkane RI, polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	Innowax	1769.	Antoniotti, Alezra, et al., 2004	Program: not specified

References

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Mihara and Nishimura, 1989
Mihara, S.; Nishimura, O., Retention indices of 2-hydroxy-2-cyclopenten-1-ones, J. Hi. Res. Chromatogr., 1989, 12, 11, 763-764, https://doi.org/10.1002/jhrc.1240121116 . [all data]

Baltes and Mevissen, 1988
Baltes, W.; Mevissen, L., Model reactions on roast aroma formation. VI. Volatile reaction products from the reaction of phenylalanine with glucose during cooking and roasting, Z. Lebensm. Unters. Forsch., 1988, 187, 3, 209-214, https://doi.org/10.1007/BF01043341 . [all data]

Piyachaiseth, Jirapakkul, et al., 2011
Piyachaiseth, T.; Jirapakkul, W.; Chaiseri, S., Aroma compounds of flash-fried rice, Kasetsart J. (Nat. Sci.), 2011, 45, 717-729. [all data]

Harrison and Priest, 2009
Harrison, B.M.; Priest, F.G., Composition of peaks used in the preparation of malt for Scotch Whisky production - influence of geographical source and extraction depth, J. Agric. Food Chem., 2009, 57, 6, 2385-2391, https://doi.org/10.1021/jf803556y . [all data]

Antoniotti, Alezra, et al., 2004
Antoniotti, S.; Alezra, N.; Fernandez, X.; Duñach, E., Catalytic epoxide oxidation: a novel access to flavouring and odorant α-diketones, Flavour Fragr. J., 2004, 19, 5, 373-381, https://doi.org/10.1002/ffj.1371 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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