4-Hydroxy-3-methylacetophenone

Formula: C₉H₁₀O₂
Molecular weight: 150.1745
IUPAC Standard InChI: InChI=1S/C9H10O2/c1-6-5-8(7(2)10)3-4-9(6)11/h3-5,11H,1-2H3
IUPAC Standard InChIKey: LXBHHIZIQVZGFN-UHFFFAOYSA-N
CAS Registry Number: 876-02-8
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: 4'-Hydroxy-3'-methylacetophenone; Ethanone, 1-(4-hydroxy-3-methylphenyl)-
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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, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	1323.	Kartal N., Sokmen M., et al., 2007	30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 3. K/min; T_end: 240. C

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	PONA	1292.	Ramalho, de Freitas, et al., 1999	50. m/0.2 mm/0.5 μm, He, 40. C @ 5. min, 6. K/min; T_end: 250. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	Polydimethyl siloxane with 5 % Ph groups	1322.	Robinson, Adams, et al., 2012	Program: not specified
Capillary	Polydimethyl siloxane with 5 % Ph groups	1323.	Robinson, Adams, et al., 2012	Program: not specified

Normal alkane RI, polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	Supelcowax-10	2241.	Ramalho, de Freitas, et al., 1999	60. m/0.25 mm/1. μm; Program: 50 C(5min) => 3C/min => 200C(4min) => 3C/min => 250C

References

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Kartal N., Sokmen M., et al., 2007
Kartal N.; Sokmen M.; Tepe B.; Daferera D.; Polissiou M.; Sokmen A., Investigation of the antioxidant properties of Ferula orientalis L. using a suitable extraction procedure, Food Chem., 2007, 100, 2, 584-589, https://doi.org/10.1016/j.foodchem.2005.09.084 . [all data]

Ramalho, de Freitas, et al., 1999
Ramalho, P.S.; de Freitas, V.A.P.; Macedo, A.; Silva, G.; Silva, A.M.S., Volatile components of Cistus ladanifer leaves, Flavour Fragr. J., 1999, 14, 5, 300-302, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<300::AID-FFJ830>3.0.CO;2-X . [all data]

Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D., Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data), Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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