Phenylethyl Alcohol
- Formula: C8H10O
- Molecular weight: 122.1644
- IUPAC Standard InChIKey: WRMNZCZEMHIOCP-UHFFFAOYSA-N
- CAS Registry Number: 60-12-8
- 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: Benzeneethanol; Phenethyl alcohol; β-Hydroxyethylbenzene; β-Phenethyl alcohol; β-Phenylethanol; β-Phenylethyl alcohol; β-PEA; Benzyl Carbinol; Ethanol, 2-phenyl-; Phenethanol; PEA; 2-Phenethyl alcohol; 2-Phenylethanol; 2-Phenylethyl alcohol; Methanol, benzyl-; Phenylethanol; Phenylethyl, beta- alcohol; 2-PEA; β-Fenethylalkohol; β-Fenylethanol; β-Phenethanol; 2-Phenethanol; β-P.E.A.; 1-Phenyl-2-ethanol; Hydroxyethylbenzene; Mellol; Beta-phenylethyl alcohol; Benzenethanol; 1-phenyl-2-ethanol (β-phenylethanol); 2-PhenyIethanol; Benzeneethanol (2-Phenylethanol)
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Van Den Dool and Kratz RI, non-polar column, custom temperature program
Go To: Top, 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
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | HP-5MS | VF-5MS | SE-54 |
Column length (m) | 30. | 30. | 30. | 25. | |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | 40C(2min) => 4C/min => 220C => 20C/min => 280C | not specified | 50C(4min) => 10C/min => 200C(0.5min) => 20C/min => 260C(5min) | 40C(2min) => 5C/min => 200C (2min) => 30C/min => 260C | 40C(1min) => 40C/min => 60C(1min) => 4C/min => 140C => 20C/min => 240C(5min) |
I | 1113. | 1116. | 1113. | 1111. | 1112. |
Reference | Andrade, Sampaio, et al., 2007 | Escudero, Campo, et al., 2007 | Pérez, Navarro, et al., 2007 | Carasek and Pawliszyn, 2006 | Frauendorfer and Schieberle, 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | SE-54 | HP-5MS | DB-5 | SE-54 |
Column length (m) | 30. | 30. | 30. | 30. | |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.32 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | 40C(2min) => 4C/min => 220C => 20C/min => 280C | 40C(2min) => 6C/min => 150C => 20C/min => 230C | 5C(8min) => 3C/min => 20C => 10C/min => 150C(10min) | not specified | 35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 20C/min => 230C(10min) |
I | 1109. | 1116. | 1141. | 1116. | 1115. |
Reference | Sampaio and Nogueira, 2006 | Schuh and Schieberle, 2006 | Bonaiti, Irlinger, et al., 2005 | Campo, Ferreira, et al., 2005 | Fritsch and Schieberle, 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | DB-5 | DB-5 | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 1. | 1. | 1. | 0.25 | 0.25 |
Program | 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min) | 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min) | 40C (2min) => 5C/min => 100C => 4C/min => 230C (10min) | 40C(2min) => 5C/min => 100C => 4C/min => 230C(10min) | 40C(1min) => 40C/min => 50C(2min) => 6C/min => 240C |
I | 1136. | 1140. | 1121. | 1112. | 1116. |
Reference | Wang, Finn, et al., 2005 | Wang, Finn, et al., 2005 | Klesk, Qian, et al., 2004 | Klesk and Qian, 2003 | Jezussek, Juliano, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | DB-5MS | DB-5MS | DB-5 |
Column length (m) | 25. | 30. | 30. | 30. | 25. |
Carrier gas | He | He | H2 | H2 | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 35C (2min) => 40C/min => 50C (2min) => 4C/min => 240C (10min) | 50C (1min) => 5C/min => 100C => 10C/min => 250C (9min) | 40C (5min) => 2C/min => 200C => 5C/min => 250C (15min) | 40C (5min) => 2C/min => 200C => 5C/min => 250C (15min) | 35C(2min) => 40C/min => 50C(2min) => 4C/min => 240C(10min) |
I | 1110. | 1113. | 1103. | 1103. | 1110. |
Reference | Kirchhoff and Schieberle, 2002 | Beaulieu and Grimm, 2001 | Boulanger and Crouzet, 2001 | Boulanger and Crouzet, 2001 | Kirchhoff and Schieberle, 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5MS | DB-5MS | DB-5 | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | H2/N2 | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 35C(2min) => 40C/min => 60C (2min) => 4C/min => 240C | 60 0C (3 min) 2 K/min -> 220 0C 5 K/min -> 250 0C (15 min) | 40C (5min) => 2C/min => 200C => 5C/min => 250C (15min) | 40C(2min) => 40C/min => 50C (1min) => 6C/min => 180C => 10C/min => 240C (5min) | 40C(2min) => 40C/min => 50C (1min) => 6C/min => 180C => 10C/min => 240C (5min) |
I | 1114. | 1110. | 1103. | 1118. | 1117. |
Reference | Rychlik and Bosset, 2001 | Boulanger and Crouzet, 2000 | Boulanger and Crouzet, 2000, 2 | Munk, Munch, et al., 2000 | Munk, Munch, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | DB-5 | DB-5 | SE-54 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | H2 | H2 | 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(5min) => 2C/min => 220C => 5C/min => 250C(15min) | 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min) | 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min) | 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min) | 35C(2min) => 40C/min => 65C => 6C/min => 250C |
I | 1103. | 1118. | 1106. | 1118. | 1113. |
Reference | Boulanger, Chassagne, et al., 1999 | Boulanger, Chassagne, et al., 1999 | Boulanger, Chassagne, et al., 1999 | Boulanger, Chassagne, et al., 1999 | Jagella and Grosch, 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-54 | SE-54 | SE-54 | SE-52 | DB-5 |
Column length (m) | 25. | 30. | 30. | 60. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.5 | 0.25 | 0.40 | 1.0 | |
Program | 35C (2min) => 4C/min => 150C => 10C/min => 240C | 35C (2min) => 40C/min => 50C (2min) => 4C/min => 250C (10min) | 40C (2min) => 40C/min => 50C (2min) => 240C (10min) | 45 C (6 min) 3 C/min -> 111 0C 2 C/min -> 160 C 3 C/min -> 300 C (15 min) | 5 0C (0.5 min) -> (1 min) 60 0C (5 min) 4 0C/min -> 250 0C |
I | 1110. | 1120. | 1122. | 1117. | 1116. |
Reference | Fickert and Schieberle, 1998 | Kubícková and Grosch, 1997 | Münch, Hofmann, et al., 1997 | Mondello, Dugo, et al., 1995 | Beal and Mottram, 1994 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | HP-1 |
Column length (m) | 50. |
Carrier gas | He |
Substrate | |
Column diameter (mm) | 0.32 |
Phase thickness (μm) | 1.05 |
Program | 20C(0.5min) => 60C => 4C/min => 250C |
I | 1099. |
Reference | Sing, Smadja, et al., 1992 |
Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Andrade, Sampaio, et al., 2007
Andrade, M.S.; Sampaio, T.S.; Nogueira, P.C.L.; Ribeiro, A.S.; Bittrich, V.; Amaral, M.C.E.,
Volatile compounds of the leaves, flowers and fruits of Kielmeyera rugosa Choisy (Clusiaceae),
Flavour Fragr. J., 2007, 22, 1, 49-52, https://doi.org/10.1002/ffj.1751
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Escudero, Campo, et al., 2007
Escudero, A.; Campo, E.; Fariña, L.; Cacho, J.; Ferreira, V.,
Analytical Characterization of the Aroma of Five Premium Red Wines. Insights into the Role of Odor Families and the Concept of Fruitiness of Wines,
J. Agric. Food Chem., 2007, 55, 11, 4501-4510, https://doi.org/10.1021/jf0636418
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Pérez, Navarro, et al., 2007
Pérez, R.A.; Navarro, T.; de Lorenzo, C.,
HS-SPME analysis of the volatile compounds from spices as a source of flavour in 'Campo Real' table olive preparations,
Flavour Fragr. J., 2007, 22, 4, 265-273, https://doi.org/10.1002/ffj.1791
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Carasek and Pawliszyn, 2006
Carasek, E.; Pawliszyn, J.,
Screening of Tropical Fruit Volatile Compounds Using Solid-Phase Microextraction (SPME) Fibers and Internally Cooled SPME Fiber,
J. Agric. Food Chem., 2006, 54, 23, 8688-8696, https://doi.org/10.1021/jf0613942
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Frauendorfer and Schieberle, 2006
Frauendorfer, F.; Schieberle, P.,
Identification of the key aroma compounds in Cocoa powder based on molecular sensoly correlations,
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Sampaio and Nogueira, 2006
Sampaio, T.S.; Nogueira, P.C.L.,
Volatile components of mangaba fruit (Hancornia speciosa Gomes) at three stages of maturity,
Food Chem., 2006, 95, 4, 606-610, https://doi.org/10.1016/j.foodchem.2005.01.038
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Schuh and Schieberle, 2006
Schuh, C.; Schieberle, P.,
Characterization of the Key Aroma Compounds in the Beverage Prepared from Darjeeling Black Tea: Quantitative Differences between Tea Leaves and Infusion,
J. Agric. Food Chem., 2006, 54, 3, 916-924, https://doi.org/10.1021/jf052495n
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Bonaiti, Irlinger, et al., 2005
Bonaiti, C.; Irlinger, F.; Spinnler, H.E.; Engel, E.,
An iterative sensory procedure to select odor-active associations in complex consortia of microorganisms: application to the construction of a cheese model,
J. Dairy Sci., 2005, 88, 5, 1671-1684, https://doi.org/10.3168/jds.S0022-0302(05)72839-3
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Campo, Ferreira, et al., 2005
Campo, E.; Ferreira, V.; Escudero, A.; Cacho, J.,
Prediction of the wine sensory properties related to grape variety from dynamic-headspace gas chromatography-olfactometry data,
J. Agric. Food Chem., 2005, 53, 14, 5682-5690, https://doi.org/10.1021/jf047870a
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Fritsch and Schieberle, 2005
Fritsch, H.T.; Schieberle, P.,
Identification based on quantitative measurements and aroma recombination of the character impact odorants in a Bavarian Pilsner-type beer,
J. Agric. Food Chem., 2005, 53, 19, 7544-7551, https://doi.org/10.1021/jf051167k
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Wang, Finn, et al., 2005
Wang, Y.; Finn, C.; Qian, M.C.,
Impact of Growing Environment on Chickasaw Blackberry ( Rubus L.) Aroma Evaluated by Gas Chromatography Olfactometry Dilution Analysis,
J. Agric. Food Chem., 2005, 53, 9, 3563-3571, https://doi.org/10.1021/jf048102m
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Klesk, Qian, et al., 2004
Klesk, K.; Qian, M.; Martin, R.R.,
Aroma extract dilution analysis of cv. meeker (Rubus idaeus L.) red raspberries from Oregon and Washington,
J. Agric. Food Chem., 2004, 52, 16, 5155-5161, https://doi.org/10.1021/jf0498721
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Klesk and Qian, 2003
Klesk, K.; Qian, M.,
Aroma extract dilution analysis of Cv. Marion (Rubus spp. hyb) and Cv. Evergreen (R. Iaciniatus L.) blackberries,
J. Agric. Food Chem., 2003, 51, 11, 3436-3441, https://doi.org/10.1021/jf0262209
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Jezussek, Juliano, et al., 2002
Jezussek, M.; Juliano, B.O.; Schieberle, P.,
Comparison of key aroma compounds in cooked brown rice varieties based on aroma extract dilution analysis,
J. Agric. Food Chem., 2002, 50, 5, 1101-1105, https://doi.org/10.1021/jf0108720
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Kirchhoff and Schieberle, 2002
Kirchhoff, E.; Schieberle, P.,
Quantitation of odor-active compounds in rye flour and rye sourdough using stable isotope dilution assays,
J. Agric. Food Chem., 2002, 50, 19, 5378-5385, https://doi.org/10.1021/jf020236h
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Beaulieu and Grimm, 2001
Beaulieu, J.C.; Grimm, C.C.,
Identification of volatile compounds in cantaloupe at various developmental stages using solid phase microextraction,
J. Agric. Food Chem., 2001, 49, 3, 1345-1352, https://doi.org/10.1021/jf0005768
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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
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Kirchhoff and Schieberle, 2001
Kirchhoff, E.; Schieberle, P.,
Determination of key aroma compounds in the crumb of a three-stage sourdough rye bread by stable isotope dilution assays and sensory studies,
J. Agric. Food Chem., 2001, 49, 9, 4304-4311, https://doi.org/10.1021/jf010376b
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Rychlik and Bosset, 2001
Rychlik, M.; Bosset, J.O.,
Flavour and off-flavour compoundsof SwissGruy ere cheese. Evaluation of potent odorants,
Int. Dairy J., 2001, 11, 11-12, 895-901, https://doi.org/10.1016/S0958-6946(01)00108-X
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Boulanger and Crouzet, 2000
Boulanger, R.; Crouzet, J.,
Free and bound flavour components of Amazonian fruits: 2. cupuacu volatile compounds,
Flavour Fragr. J., 2000, 15, 4, 251-257, https://doi.org/10.1002/1099-1026(200007/08)15:4<251::AID-FFJ905>3.0.CO;2-2
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Boulanger and Crouzet, 2000, 2
Boulanger, R.; Crouzet, J.,
Free and bound flavour components of Amazonian fruits: 3-glycosidically bound components of cupuacu,
Food Chem., 2000, 70, 4, 463-470, https://doi.org/10.1016/S0308-8146(00)00112-6
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Munk, Munch, et al., 2000
Munk, S.; Munch, P.; Stahnke, L.; Adler-Nissen., J.; Schieberle, P.,
Primary odorants of laundry soiled with sweat/sebum: influence of lipase on the odor profile,
Journal of Surfactants and Detergents, 2000, 3, 4, 505-515, https://doi.org/10.1007/s11743-000-0150-z
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Boulanger, Chassagne, et al., 1999
Boulanger, R.; Chassagne, D.; Crouzet, J.,
Free and bound flavour components of amazonian fruits. 1: Bacuri,
Flavour Fragr. J., 1999, 14, 5, 303-311, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<303::AID-FFJ834>3.0.CO;2-C
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Jagella and Grosch, 1999
Jagella, T.; Grosch, W.,
Flavour and off-flavour compounds of black and white pepper ( Piper nigrum L.) I. Evaluation of potent odorants of black pepper by dilution and concentration techniques,
Eur. Food Res. Technol., 1999, 209, 1, 16-21, https://doi.org/10.1007/s002170050449
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Fickert and Schieberle, 1998
Fickert, B.; Schieberle, P.,
Identification of the key odorants in barley malt (caramalt) using GC/MS techniques and odour dilution analyses,
Nahrung, 1998, 42, 6, 371-375, https://doi.org/10.1002/(SICI)1521-3803(199812)42:06<371::AID-FOOD371>3.0.CO;2-V
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Kubícková and Grosch, 1997
Kubícková, J.; Grosch, W.,
Evaluation of potent odorants of camembert cheese by dilution and concentration techniques,
Int. Dairy J., 1997, 7, 1, 65-70, https://doi.org/10.1016/S0958-6946(96)00044-1
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Münch, Hofmann, et al., 1997
Münch, P.; Hofmann, T.; Schieberle, P.,
Comparison of key odorants generated by thermal treatment of commercial and self-prepared yeast extracts: influence of the amino acid composition on odorant formation,
J. Agric. Food Chem., 1997, 45, 4, 1338-1344, https://doi.org/10.1021/jf960658p
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Mondello, Dugo, et al., 1995
Mondello, L.; Dugo, P.; Basile, A.; Dugo, G.,
Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixtures,
J. Microcolumn Sep., 1995, 7, 6, 581-591, https://doi.org/10.1002/mcs.1220070605
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Beal and Mottram, 1994
Beal, A.D.; Mottram, D.S.,
Compounds contributing to the characteristic aroma of malted barley,
J. Agric. Food Chem., 1994, 42, 12, 2880-2884, https://doi.org/10.1021/jf00048a043
. [all data]
Sing, Smadja, et al., 1992
Sing, A.S.C.; Smadja, J.; Brevard, H.; Maignial, L.; Chaintreau, A.; Marion, J.-P.,
Volatile constituents of faham (Jumellea fragrans (Thou.) Schltr.),
J. Agric. Food Chem., 1992, 40, 4, 642-646, https://doi.org/10.1021/jf00016a024
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References
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