Benzeneacetaldehyde
- Formula: C8H8O
- Molecular weight: 120.1485
- IUPAC Standard InChIKey: DTUQWGWMVIHBKE-UHFFFAOYSA-N
- CAS Registry Number: 122-78-1
- 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: Acetaldehyde, phenyl-; α-Tolualdehyde; α-Toluic aldehyde; Hyacinthin; Phenylacetaldehyde; Phenylacetic aldehyde; Phenylethanal; 2-Phenylethanal; 2-Phenylacetaldehyde; Benzacetaldehyde; Benzenacetaldehyde; Benzylcarboxaldehyde; NSC 406309; phenylacetalaldehyde; phenylacetadehyde
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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 | Supelcowax-10 | Supelcowax-10 | DB-Wax | Supelcowax-10 | FFAP |
Column length (m) | 30. | 30. | 30. | 30. | 25. |
Carrier gas | He | He | H2 | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.25 | 0.2 |
Program | 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) | 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) | 40C(5min) => 4C/min => 100C6C/min => 136C => 3C/min => 220C (10min) | 40C(2min) => 40C/min => 60C(2min) => 5C/min => 240C | 40C(1min) => 40C/min => 60C(1min) => 6C/min => 180C => 15C/min => 240C |
I | 1669. | 1663. | 1660. | 1642. | 1635. |
Reference | Bianchi, Careri, et al., 2007 | Bianchi, Careri, et al., 2007 | Escudero, Campo, et al., 2007 | Majcher and Jelen, 2007 | Frauendorfer and Schieberle, 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Stabilwax | FFAP | DB-Wax | FFAP | CP-Wax 52CB |
Column length (m) | 30. | 30. | 30. | 30. | 50. |
Carrier gas | He | H2 | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.25 | 0.2 |
Program | 40C => 3C/min => 100C => 5C/min => 240C(10min) | 40C(2min) => 6C/min => 150C => 20C/min => 230C | 40C(5min) => 4C/min => 100C => 6C/min => 200C | 35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 20C/min => 230C(10min) | 33C(1.5min) => 1.5C/min => 60C(4min) => 2C/min => 100C => 8C/min => 220C(15min) |
I | 1633. | 1642. | 1660. | 1643. | 1610. |
Reference | Natali N., Chinnici F., et al., 2006 | Schuh and Schieberle, 2006 | Campo, Ferreira, et al., 2005 | Fritsch and Schieberle, 2005 | Kaack, Christensen, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | Stabilwax | FFAP | FFAP | DB-Wax |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | H2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 1. | 0.25 | 0.25 | 0.25 |
Program | 40C(2min) => 40C/min => 60(2min)C => 5C/min => 240C | 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min) | 40C(1min) => 40C/min => 50C(2min) => 6C/min => 240C | 35C (2min) => 60C/min => 50C (2min) => 6C/min => 240C (10min) | 60C (3min) => 2C/min => 220C => 5C/min => 250C (15min) |
I | 1642. | 1649. | 1642. | 1638. | 1618. |
Reference | Majcher and Jelén, 2005 | Wang, Finn, et al., 2005 | Jezussek, Juliano, et al., 2002 | Kirchhoff and Schieberle, 2002 | Boulanger and Crouzet, 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | FFAP | Innowax | DB-Wax | FFAP |
Column length (m) | 30. | 30. | 60. | 30. | 30. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.22 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 20C(30s) => fast => 60C => 4C/min => 220C (20min) | 40C(2min) => 40C/min => 60C(2min) => 6C/min => 240C(10min) | 35C (1min) => 3C/min => 170C => 4C/min => 200C (20min) | 30C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) | 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C (5min) => 10C/min => 230C (5min) |
I | 1620. | 1638. | 1674. | 1680. | 1638. |
Reference | Cantergiani, Brevard, et al., 2001 | Kirchhoff and Schieberle, 2001 | Larráyoz, Addis, et al., 2001 | Radovic, Careri, et al., 2001 | Tairu, Hofmann, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | FFAP | DB-FFAP | HP-Innowax | FFAP | FFAP |
Column length (m) | 30. | 30. | 30. | 25. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.5 | 0.25 |
Program | 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 230C (10min) | 40C(2min) => 40C/min => 60C(2min) => 6C/min => 230C(10min) | 60C(8min) => 3C/min => 180C(5min) => 40C/min => 250C | 35C (2min) => 40C/min => 60C => 6C/min => 230C (10min) | 35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 10C/min => 230C(10 min) |
I | 1639. | 1642. | 1640. | 1651. | 1642. |
Reference | Buettner and Schieberle, 1999 | Mutti and Grosch, 1999 | Bisio, Ciarallo, et al., 1998 | Fickert and Schieberle, 1998 | Hinterholzer, Lemos, et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | FFAP | BP-20 | Supelcowax-10 |
Column length (m) | 30. | 50. | 60. |
Carrier gas | He | He | He |
Substrate | |||
Column diameter (mm) | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.5 | 0.25 |
Program | 40C (2min) => 40C/min => 60C (2min) => 240C (10min) | 5 0C (0.5 min) -> (1 min) 60 0C (5 min) 4 0C/min -> 200 0C | 20C(0.5min) => 60C => 4C/min => 250C |
I | 1640. | 1679. | 1659. |
Reference | Münch, Hofmann, et al., 1997 | Beal and Mottram, 1994 | Sing, Smadja, et al., 1992 |
Comment | MSDC-RI | MSDC-RI | 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.
Bianchi, Careri, et al., 2007
Bianchi, F.; Careri, M.; Mangia, A.; Musci, M.,
Retention indices in the analysis of food aroma volatile compounds in temperature-programmed gas chromatography: Database creation and evaluation of precision and robustness,
J. Sep. Sci., 2007, 39, 4, 563-572, https://doi.org/10.1002/jssc.200600393
. [all data]
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
. [all data]
Majcher and Jelen, 2007
Majcher, M.A.; Jelen, H.H.,
Effect of Cysteine and Cystine Addition on Sensory Profile and Potent Odorants of Extruded Potato Snacks,
J. Agric. Food Chem., 2007, 55, 14, 5754-5760, https://doi.org/10.1021/jf0703147
. [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]
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]
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
. [all data]
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
. [all data]
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
. [all data]
Kaack, Christensen, et al., 2005
Kaack, K.; Christensen, L.P.; Hughes, M.; Eder, R.,
The relationship between sensory quality and volatile compounds in raw juice processed from elderberries ( Sambucus nigra L.),
Eur. Food Res. Technol., 2005, 221, 3-4, 244-254, https://doi.org/10.1007/s00217-005-1141-4
. [all data]
Majcher and Jelén, 2005
Majcher, M.A.; Jelén, H.H.,
Identification of potent odorants formed during the preparation of extruded potato snacks,
J. Agric. Food Chem., 2005, 53, 16, 6432-6437, https://doi.org/10.1021/jf050412x
. [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]
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
. [all data]
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
. [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]
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
. [all data]
Larráyoz, Addis, et al., 2001
Larráyoz, P.; Addis, M.; Gauch, R.; Bosset, J.O.,
Comparison of dynamic headspace and simultaneous distillation extraction techniques used for the analysis of the volatile components in three European PDO ewes milk cheeses,
Int. Dairy J., 2001, 11, 11-12, 911-926, https://doi.org/10.1016/S0958-6946(01)00144-3
. [all data]
Radovic, Careri, et al., 2001
Radovic, B.S.; Careri, M.; Mangia, A.; Musci, M.; Gerboles, M.; Anklam, E.,
Analytical, nutritional, and clinical methods section. Contribution of dynamic headspace GC-MS analysis of aroma compounds to authenticity testing of honey,
Food Chem., 2001, 72, 4, 511-520, https://doi.org/10.1016/S0308-8146(00)00263-6
. [all data]
Tairu, Hofmann, et al., 2000
Tairu, A.O.; Hofmann, T.; Schieberle, P.,
Studies on the key odorants formed by roasting of wild mango seeds (Irvingia gabonensis),
J. Agric. Food Chem., 2000, 48, 6, 2391-2394, https://doi.org/10.1021/jf990765u
. [all data]
Buettner and Schieberle, 1999
Buettner, A.; Schieberle, P.,
Characterization of the most odor-active volatiles in fresh, hand squeezed juice of grapefruit (Citrus paradise Macfayden),
J. Agric. Food Chem., 1999, 47, 12, 5189-5193, https://doi.org/10.1021/jf990071l
. [all data]
Mutti and Grosch, 1999
Mutti, B.; Grosch, W.,
Potent odorants of boiled potatoes,
Nahrung, 1999, 43, 5, 302-306, https://doi.org/10.1002/(SICI)1521-3803(19991001)43:5<302::AID-FOOD302>3.0.CO;2-8
. [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
. [all data]
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
. [all data]
Hinterholzer, Lemos, et al., 1998
Hinterholzer, A.; Lemos, T.; Schieberle, P.,
Identification of the key odorants in raw French beans and changes during cooking,
Z. Lebensm. Unters. Forsch. A, 1998, 207, 3, 219-222, https://doi.org/10.1007/s002170050322
. [all data]
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
. [all data]
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, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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