Benzyl alcohol
- Formula: C7H8O
- Molecular weight: 108.1378
- IUPAC Standard InChIKey: WVDDGKGOMKODPV-UHFFFAOYSA-N
- CAS Registry Number: 100-51-6
- 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: Benzenemethanol; α-Hydroxytoluene; α-Toluenol; (Hydroxymethyl)benzene; Benzenecarbinol; Phenylcarbinol; Phenylmethanol; Phenylmethyl alcohol; Methanol, phenyl-; NCI-C06111; Hydroxytoluene; Bentalol; Benzoyl alcohol; Benzenmethanol; Benzylic alcohol; Methanol benzene; NSC 8044; Benzyl Alkohol
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Van Den Dool and Kratz RI, 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 | CP-Wax 52CB | FFAP | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 60. | 25. | 30. | 30. | 30. |
Carrier gas | He | He | He | H2 | H2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.2 | 0.25 | 0.5 | 0.5 |
Program | 45C(5min) => 10C/min => 80C => 2C/min => 240C | 40C(1min) => 40C/min => 60C(1min) => 6C/min => 180C => 15C/min => 240C | 60C => 5C/min => 200C => 6C/min => 250C(5min) | 60C(3min) => 2C/min => 220C => 3C/min => 245C (20min) | 60C(3min) => 2C/min => 220C => 3C/min => 245C(20min) |
I | 1874. | 1871. | 1866. | 1869. | 1869. |
Reference | Romeo, Ziino, et al., 2007 | Frauendorfer and Schieberle, 2006 | Guillot, Peytavi, et al., 2006 | Selli, Canbas, et al., 2006 | Selli, Canbas, et al., 2006, 2 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SOLGel-Wax | SOLGel-Wax | SOLGel-Wax | SOLGel-Wax | Stabilwax |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | 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 | 1. |
Program | 35C(5min) => 3C/min => 150C => 5C/min => 250C(10 min) | 35C(5min) => 3C/min => 150C => 5C/min => 250C (10min) | 35C(5min) => 3C/min => 150C => 5C/min => 250C (10min) | 35C(5min) => 3C/min => 150C => 5C/min => 250C (10min) | 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min) |
I | 1837. | 1837. | 1837. | 1837. | 1890. |
Reference | Aubert, Baumann, et al., 2005 | Aubert, Baumann, et al., 2005 | Aubert, Baumann, et al., 2005 | Aubert, Baumann, et al., 2005 | Wang, Finn, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Stabilwax | DB-Wax | Stabilwax | DB-Wax | Carbowax 20M |
Column length (m) | 30. | 60. | 30. | 30. | 25. |
Carrier gas | He | He | He | H2 | H2 |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 1. | 0.25 | 1. | 0.5 | 0.25 |
Program | 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min) | 35C(0.7min) => 20C/min => 70C => 4C/min => 240C | 40C (2min) => 5C/min => 100C => 4C/min => 230C (10min) | 60C(3min) => 2C/min => 220C => 3C/min => 245C (20min) | 40C (8min) => 3C/min => 180C => 20C/min => 230C |
I | 1915. | 1868. | 1898. | 1869. | 1882. |
Reference | Wang, Finn, et al., 2005 | Ferrari, Lablanquie, et al., 2004 | Klesk, Qian, et al., 2004 | Selli, Cabaroglu, et al., 2004 | Boido, Lloret, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Carbowax 20M | DB-FFAP | Stabilwax | Supelcowax-10 | DB-Wax |
Column length (m) | 25. | 30. | 30. | 30. | 30. |
Carrier gas | H2 | He | H2 | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 1. | 0.3 | 0.5 |
Program | 40C (8min) => 3C/min => 180C => 20C/min => 230C | 35C(2min) => 6C/min => 180C => 10C/min => 240C (10min) | 40C(2min) => 5C/min => 100C => 4C/min => 230C(10min) | 60C(8min) => 8C/min => 170C => 13C/min => 240C(20min) | 60C (3min) => 2C/min => 220C => 3C/min => 245C (20min) |
I | 1882. | 1875. | 1905. | 1861. | 1865. |
Reference | Boido, Lloret, et al., 2003 | Huynh-Ba, Matthey-Doret, et al., 2003 | Klesk and Qian, 2003 | da Porto, Pizzale, et al., 2003 | Nurgel, Erten, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 30. | 30. | 30. | 60. | 30. |
Carrier gas | H2 | H2 | He | H2 | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | 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) | 45C(4min) => 30C/min => 60C (5min) => 3C/min => 220C (40min) | 60 0C (3 min) 2 K/min -> 220 0C 5 K/min -> 250 0C (15 min) |
I | 1861. | 1856. | 1858. | 1871. | 1851. |
Reference | Boulanger and Crouzet, 2001 | Boulanger and Crouzet, 2001 | Cantergiani, Brevard, et al., 2001 | Ziegleder, 2001 | Boulanger and Crouzet, 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | HP-Innowax | DB-Wax | DB-Wax | Supelcowax-10 |
Column length (m) | 30. | 30. | 30. | 30. | 60. |
Carrier gas | H2 | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.5 | 0.25 |
Program | 60C(3min) => 2C/min => 220C => 5C/min => 250C (15min) | 60C(8min) => 3C/min => 180C(5min) => 40C/min => 250C | 50C => 3C/min => 180C => 5C/min => 250C (15min) | 50C => 3C/min => 180C => 5C/min => 250C (15min) | 20C(0.5min) => 60C => 4C/min => 250C |
I | 1851. | 1880. | 1894. | 1896. | 1883. |
Reference | Boulanger and Crouzet, 2000, 2 | Bisio, Ciarallo, et al., 1998 | Prost, Serot, et al., 1998 | Prost, Serot, et al., 1998 | Sing, Smadja, et al., 1992 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | Carbowax 20M |
Column length (m) | 150. |
Carrier gas | |
Substrate | |
Column diameter (mm) | 0.75 |
Phase thickness (μm) | |
Program | not specified |
I | 1865. |
Reference | Whitfield, Shea, et al., 1981 |
Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, 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.
Romeo, Ziino, et al., 2007
Romeo, V.; Ziino, M.; Giuffrrida, D.; Condurso, C.; Verzera, A.,
Flavour profile of capers (Capparis spinosa L.) from the Eolian Archipelago by HS-SPME/GC?MS,
Food Chem., 2007, 101, 3, 1272-1278, https://doi.org/10.1016/j.foodchem.2005.12.029
. [all data]
Frauendorfer and Schieberle, 2006
Frauendorfer, F.; Schieberle, P.,
Identification of the key aroma compounds in Cocoa powder based on molecular sensoly correlations,
J. Agr. Food Chem., 2006, 54, 15, 5521-5529, https://doi.org/10.1021/jf060728k
. [all data]
Guillot, Peytavi, et al., 2006
Guillot, S.; Peytavi, L.; Bureau, S.; Boulanger, R.; Lepoutre, J.-P.; Crouzet, J.; Schorr-Galindo, S.,
Aroma characterization of various apricot varieties using headspace-solid phase microextraction combined with gas chromatography-mass spectrometry and gas chromatography-olfactometry,
Food Chem., 2006, 96, 1, 147-155, https://doi.org/10.1016/j.foodchem.2005.04.016
. [all data]
Selli, Canbas, et al., 2006
Selli, S.; Canbas, A.; Cabaroglu, T.; Erten, H.; Gunata, Z.,
Aroma components of cv. Muscat of Bornova wines and influence of skin contact treatment,
Food Chem., 2006, 94, 3, 319-326, https://doi.org/10.1016/j.foodchem.2004.11.019
. [all data]
Selli, Canbas, et al., 2006, 2
Selli, S.; Canbas, A.; Cabaroglu, T.; Erten, H.; Lepoutre, J.-P.; Gunata, Z.,
Effect of skin contact on the free and bound aroma compounds of the white wine of Vitis vinifera L. cv Narince,
Food Control, 2006, 17, 1, 75-82, https://doi.org/10.1016/j.foodcont.2004.09.005
. [all data]
Aubert, Baumann, et al., 2005
Aubert, C.; Baumann, S.; Arguel, H.,
Optimization of the Analysis of Flavor Volatile Compounds by Liquid-Liquid Microextraction (LLME). Application to the Aroma Analysis of Melons, Peaches, Grapes, Strawberries, and Tomatoes,
J. Agric. Food Chem., 2005, 53, 23, 8881-8895, https://doi.org/10.1021/jf0510541
. [all data]
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
. [all data]
Ferrari, Lablanquie, et al., 2004
Ferrari, G.; Lablanquie, O.; Cantagrel, R.; Ledauphin, J.; Payot, T.; Fournier, N.; Guichard, E.,
Determination of key odorant compounds in freshly distilled cognac using GC-O, GC-MS, and sensory evaluation,
J. Agric. Food Chem., 2004, 52, 18, 5670-5676, https://doi.org/10.1021/jf049512d
. [all data]
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
. [all data]
Selli, Cabaroglu, et al., 2004
Selli, S.; Cabaroglu, T.; Canbas, A.; Erten, H.; Nurgel, C.; Lepoutre, J.P.; Gunata, Z.,
Volatile composition of red wine from cv. Kalecik Karasi grown in central Anatolia,
Food Chem., 2004, 85, 2, 207-213, https://doi.org/10.1016/j.foodchem.2003.06.008
. [all data]
Boido, Lloret, et al., 2003
Boido, E.; Lloret, A.; Medina, K.; Fariña, L.; Carrau, f.; Versini, G.; Dellacassa, E.,
Aroma composition of Vitis vinifera Cv. Tannat: the typical red wine from Uruguay,
J. Agric. Food Chem., 2003, 51, 18, 5408-5413, https://doi.org/10.1021/jf030087i
. [all data]
Huynh-Ba, Matthey-Doret, et al., 2003
Huynh-Ba, T.; Matthey-Doret, W.; Fay, L.B.; Rhlid, R.B.,
Generation of thiols by biotransformation of cysteine-aldehyde conjugates with Baker's yeast,
J. Agric. Food Chem., 2003, 51, 12, 3629-3635, https://doi.org/10.1021/jf026198j
. [all data]
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
. [all data]
da Porto, Pizzale, et al., 2003
da Porto, C.; Pizzale, L.; Bravin, M.; Conte, L.S.,
Analyses of orange spirit flavour by direct-injection gas chromatography-mass spectrometry and headspace solid-phase microextraction/GC-MC,
Flavour Fragr. J., 2003, 18, 1, 66-72, https://doi.org/10.1002/ffj.1164
. [all data]
Nurgel, Erten, et al., 2002
Nurgel, C.; Erten, H.; Canbas, A.; Cabaroglu, T.; Selli, S.,
Contribution by Saccharomyces cerevisiae yeasts to fermentation and flavour compounds in wines from cv. Kalecik karasi grape,
J. Inst. Brew., 2002, 108, 1, 68-72, https://doi.org/10.1002/j.2050-0416.2002.tb00126.x
. [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]
Ziegleder, 2001
Ziegleder, G.,
Odorous compounds in paperboard as influenced by recycled material and storage,
Packag. Technol. Sci., 2001, 14, 4, 131-136, https://doi.org/10.1002/pts.541
. [all data]
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
. [all data]
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
. [all data]
Bisio, Ciarallo, et al., 1998
Bisio, A.; Ciarallo, G.; Romussi, G.; Fontana, N.; Mascolo, N.; Capasso, R.; Biscardi, D.,
Chemical Composition of Essential Oils from some Salvia species,
Phytother. Res., 1998, 12, S1, s117-s120, https://doi.org/10.1002/(SICI)1099-1573(1998)12:1+3.0.CO;2-2
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Prost, Serot, et al., 1998
Prost, C.; Serot, T.; Demaimay, M.,
Identification of the most potent odorants in wild and farmed cooked turbot (Scophtalamus maximus L.),
J. Agric. Food Chem., 1998, 46, 8, 3214-3219, https://doi.org/10.1021/jf980128o
. [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]
Whitfield, Shea, et al., 1981
Whitfield, F.B.; Shea, S.R.; Gillen, K.J.; Shaw, K.J.,
Volatile components from the roots of Acacia pulchella R.Br. and their effect on Phytophthora cinnamomi rands,
Aust. J. Bot., 1981, 29, 2, 195-208, https://doi.org/10.1071/BT9810195
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, References
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