Phenol, 4-ethyl-2-methoxy-

Formula: C₉H₁₂O₂
Molecular weight: 152.1904
IUPAC Standard InChI: InChI=1S/C9H12O2/c1-3-7-4-5-8(10)9(6-7)11-2/h4-6,10H,3H2,1-2H3
IUPAC Standard InChIKey: CHWNEIVBYREQRF-UHFFFAOYSA-N
CAS Registry Number: 2785-89-9
Chemical structure:
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Other names: p-Ethylguaiacol; 2-Methoxy-4-ethylphenol; 4-Ethyl-2-methoxyphenol; 4-Ethylguaiacol; 4-Hydroxy-3-methoxy ethylbenzene; 4-Ethyl-2-methoxyphenol (4-ethylguaiacol); 4-Ethyl-2-metoxy phenol; Guaiacol, 4-ethyl; p-Ethyl-2-methoxyphenol; Phenol, 2-methoxy-4-ethyl; 4-ethyl guiacol; ethylguiacol (4-ethyl-2-methoxyphenol)
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Van Den Dool and Kratz RI, polar column, custom temperature program

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

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Stabilwax	DB-Wax	DB-Wax	DB-Wax	FFAP
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	He	H2	H2		He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.32
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
Program	40C => 3C/min => 100C => 5C/min => 240C(10min)	60C (3min) => 2C/min => 220C => 5C/min => 250C (15min)	60C (3min) => 2C/min => 220C => 5C/min => 250C (15min)	20C(30s) => fast => 60C => 4C/min => 220C (20min)	35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 230C (5min)
I	2047.	1983.	1987.	2008.	2031.
Reference	Natali N., Chinnici F., et al., 2006	Boulanger and Crouzet, 2001	Boulanger and Crouzet, 2001	Cantergiani, Brevard, et al., 2001	Tairu, Hofmann, et al., 1999
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

References

Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, Notes

Natali N., Chinnici F., et al., 2006
Natali N.; Chinnici F.; Riponi C., Characterization of volatiles in extracts from oak chips obtained by accelerated solvent extraction (ASE), J. Agric. Food Chem., 2006, 54, 21, 8190-8198, https://doi.org/10.1021/jf0614387 . [all data]

Boulanger and Crouzet, 2001
Boulanger, R.; Crouzet, J., Identification of the aroma components of acerola (Malphigia glabra L.): free and bound flavor compounds, Food Chem., 2001, 74, 2, 209-216, https://doi.org/10.1016/S0308-8146(01)00128-5 . [all data]

Cantergiani, Brevard, et al., 2001
Cantergiani, E.; Brevard, H.; Krebs, Y.; Feria-Morales, A.; Amadò, R.; Yeretzian, C., Characterisation of the aroma of green Mexican coffee and identification of mouldy/earthy defect, Eur. Food Res. Technol., 2001, 212, 6, 648-657, https://doi.org/10.1007/s002170100305 . [all data]

Tairu, Hofmann, et al., 1999
Tairu, A.O.; Hofmann, T.; Schieberle, P., Characterization of the key aroma compounds in dried fruits of the West African peppertree Xylopia aethiopica (Dunal) A. Rich (Annonaceae) using aroma extract dilution analysis, J. Agric. Food Chem., 1999, 47, 8, 3285-3287, https://doi.org/10.1021/jf990228+ . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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