Benzaldehyde, 4-methyl-
- Formula: C8H8O
- Molecular weight: 120.1485
- IUPAC Standard InChI: InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
- IUPAC Standard InChIKey: FXLOVSHXALFLKQ-UHFFFAOYSA-N
- CAS Registry Number: 104-87-0
- 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. - Species with the same structure:
- Other names: p-Tolualdehyde; p-Formyltoluene; p-Methylbenzaldehyde; p-Toluylaldehyde; p-Tolylaldehyde; 4-Methylbenzaldehyde; 4-Tolualdehyde; Paratolualdehyde; PTAL; NSC 2224
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Normal alkane RI, non-polar column, custom temperature program
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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 | TR-5 MS | Polydimethyl siloxane with 5 % Ph groups | Polydimethyl siloxane with 5 % Ph groups | Siloxane, 5 % Ph | Polydimethyl siloxane, 5 % phenyl |
| Column length (m) | 15. | ||||
| Carrier gas | Helium | ||||
| Substrate | |||||
| Column diameter (mm) | 0.25 | ||||
| Phase thickness (μm) | 0.25 | ||||
| Program | 35 0C (3 min) 2 0C/min -> 60 0C (3 min) 2 0C/min -> 80 0C (3 min) 4 0C/min -> 120 0C (3 min) 5 0C/min -> 150 0C (3 mion) 15 0C/min -> 240 0C (10 min) | not specified | not specified | not specified | not specified |
| I | 1074. | 1079. | 1080. | 1075. | 1075. |
| Reference | Kurashov, Krylova, et al., 2013 | Robinson, Adams, et al., 2012 | Robinson, Adams, et al., 2012 | VOC BinBase, 2012 | Skogerson, Wohlgemuth, et al., 2011 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | OV-101 | HP-5MS | Polydimethyl siloxane with 5 % Ph groups | SE-30 |
| Column length (m) | 30. | |||
| Carrier gas | He | |||
| Substrate | ||||
| Column diameter (mm) | 0.25 | |||
| Phase thickness (μm) | 0.25 | |||
| Program | not specified | 40C(3min) => 2C/min => 180C => 10C/min => 250C(5min) | not specified | not specified |
| I | 1067. | 1081. | 1079. | 1067. |
| Reference | Ebrahimi and Hadjmohammadi, 2006 | Alissandrakis, Kibaris, et al., 2005 | Pino, Marbot, et al., 2005 | Vinogradov, 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Kurashov, Krylova, et al., 2013
Kurashov, E.A.; Krylova, Yu.V.; Mitrukova, G.G.,
Variations in component composition of essential oil of Potamogeton pusillus (Potamogetonaceae) dirong vegetation,
Plant Resources (Rastitel'nye Resursy), 2013, 000-000. [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]
VOC BinBase, 2012
VOC BinBase,
The volatile compound BinBase (VOC BinBase), 2012, retrieved from http://fiehnlab.ucdavis.edu/projects/VocBinBase and http://binbase.sourceforge.net. [all data]
Skogerson, Wohlgemuth, et al., 2011
Skogerson, K.; Wohlgemuth, G.; Fiehn, O.,
VocBinNase, 2011, retrieved from http://fiehnlab.ucdavis.edu/projects//VocBinBase. [all data]
Ebrahimi and Hadjmohammadi, 2006
Ebrahimi, P.; Hadjmohammadi, M.R.,
Simultaneous modeling of the Kovats retention indices on phenyl OV stationary phases with different polarity using MLR and ANN,
QSAR Comb. Sci., 2006, 25, 10, 836-845, https://doi.org/10.1002/qsar.200530145
. [all data]
Alissandrakis, Kibaris, et al., 2005
Alissandrakis, E.; Kibaris, A.C.; Tarantilis, P.A.; Harizanis, P.C.; Polissiou, M.,
Flavour compounds of Greek cotton honey,
J. Sci. Food Agric., 2005, 85, 9, 1444-1452, https://doi.org/10.1002/jsfa.2124
. [all data]
Pino, Marbot, et al., 2005
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C.,
Volatile constituents of Malay rose apple [Syzygium malaccense (L.) Merr. Perry],
Flavour Fragr. J., 2005, 20, 98-100. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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