Benzaldehyde, 4-(1-methylethyl)-
- Formula: C10H12O
- Molecular weight: 148.2017
- IUPAC Standard InChIKey: WTWBUQJHJGUZCY-UHFFFAOYSA-N
- CAS Registry Number: 122-03-2
- 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: Benzaldehyde, p-isopropyl-; p-Cumic aldehyde; p-Isopropylbenzaldehyde; Cumaldehyde; Cumic aldehyde; Cuminal; Cuminaldehyde; Cuminic aldehyde; Cuminyl aldehyde; 4-Isopropylbenzaldehyde; p-Cuminic aldehyde; p-Isopropylbenzenecarboxaldehyde; 4-(1-Methylethyl)benzaldehyde; Cumal; 4-iPr-Benzaldehyde; p-(1-methylethyl)benzaldehyde; 4-Isopropylphenylcarboxaldehyde; NSC 4886
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Normal alkane RI, polar column, temperature ramp
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 52 CB | CP-Wax 52CB | HP-Innowax | TC-FFAP | TC-FFAP |
Column length (m) | 60. | 60. | 30. | ||
Carrier gas | Helium | He | He | He | He |
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 | 0.25 |
Tstart (C) | 40. | 40. | 60. | 60. | 60. |
Tend (C) | 220. | 220. | 240. | 220. | 220. |
Heat rate (K/min) | 3. | 3. | 2. | 3. | 3. |
Initial hold (min) | |||||
Final hold (min) | 20. | 30. | 30. | ||
I | 1763. | 1831. | 1775. | 1790. | 1791. |
Reference | Chen, Chyau, et al., 2007 | Chyau, Tsai, et al., 2007 | Hachicha, Skanji, et al., 2007 | Kurose, Okamura, et al., 2007 | Kurose, Okamura, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | Innowax | Supelcowax | CP-Wax | DB-Wax |
Column length (m) | 30. | 50. | 60. | 30. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.2 | 0.2 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.5 | 0.2 | 0.25 | 0.25 |
Tstart (C) | 40. | 60. | 60. | 40. | 50. |
Tend (C) | 250. | 250. | 230. | 180. | 180. |
Heat rate (K/min) | 3. | 2. | 4. | 5. | 3. |
Initial hold (min) | 5. | 30. | 2. | ||
Final hold (min) | 10. | 60. | 40. | ||
I | 1776. | 1753. | 1762. | 1751. | 1767. |
Reference | Vichi, Riu-Aumatell, et al., 2007 | Bendimerad and Bendiab, 2005 | Gauvin and Smadja, 2005 | Ka, Choi, et al., 2005 | Lee, Umano, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | Supelcowax-10 | Supelcowax-10 | DB-Wax | DB-Wax |
Column length (m) | 60. | 30. | 30. | 60. | 60. |
Carrier gas | N2 | N2 | N2 | ||
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 | 0.25 |
Tstart (C) | 70. | 40. | 40. | 70. | 70. |
Tend (C) | 230. | 210. | 220. | 230. | 230. |
Heat rate (K/min) | 2. | 2. | 3. | 2. | 2. |
Initial hold (min) | 2. | 2. | 5. | 2. | 2. |
Final hold (min) | 20. | 33. | 10. | 20. | 20. |
I | 1794. | 1763. | 1776. | 1783. | 1784. |
Reference | Njoroge, Koaze, et al., 2005 | Stevanovic, Garneau, et al., 2005 | Vichi, Riu-Aumatell, et al., 2005 | Choi, 2004 | Choi, 2004, 2 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | Innowax | DB-Wax | DB-Wax |
Column length (m) | 30. | 60. | 60. | 60. | 60. |
Carrier gas | He | Helium | He | N2 | N2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Tstart (C) | 50. | 70. | 60. | 70. | 70. |
Tend (C) | 230. | 210. | 220. | 230. | 230. |
Heat rate (K/min) | 3. | 2. | 4. | 2. | 2. |
Initial hold (min) | 2. | 10. | 2. | ||
Final hold (min) | 20. | 60. | 10. | 20. | |
I | 1769. | 1785. | 1802. | 1776. | 1791. |
Reference | Lin, Cai, et al., 2003 | Mookdasanit, Tamura, et al., 2003 | Suleimenov, Atazharova, et al., 2003 | Tu, Onishi, et al., 2002 | Tu, Thanh, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Carbowax 20M | Supelcowax-10 | Innowax | BP-20 | Carbowax 20M |
Column length (m) | 50. | 60. | 60. | 25. | 80. |
Carrier gas | He | He | He | H2 | |
Substrate | |||||
Column diameter (mm) | 0.22 | 0.25 | 0.25 | 0.33 | 0.2 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.5 | |
Tstart (C) | 60. | 60. | 60. | 80. | 70. |
Tend (C) | 220. | 280. | 220. | 220. | 170. |
Heat rate (K/min) | 2. | 4. | 5. | 2. | |
Initial hold (min) | 10. | ||||
Final hold (min) | |||||
I | 1760. | 1786. | 1804. | 1800. | 1766. |
Reference | Vernin, Lageot, et al., 2001 | Korány, Mednyánszky, et al., 2000 | Kaya, Baser, et al., 1999 | Bignell, Dunlop, et al., 1998 | Egolf and Jurs, 1993 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | DB-Wax | DB-Wax |
Column length (m) | 60. | 30. |
Carrier gas | He | |
Substrate | ||
Column diameter (mm) | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | |
Tstart (C) | 50. | 70. |
Tend (C) | 230. | 200. |
Heat rate (K/min) | 2. | 4. |
Initial hold (min) | 4. | 2. |
Final hold (min) | ||
I | 1781. | 1798. |
Reference | Shimoda, Shiratsuchi, et al., 1993 | Wyllie, Brophy, et al., 1990 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chen, Chyau, et al., 2007
Chen, C.-C.; Chyau, C.-C.; Hseu, TY.-H.,
Production of a COX-2 inhibitor, 2,4,5-trimethoxybenzaldehyde, with submerged cultured Antrodia camphorata,
Lett. Appl. Microbiol., 2007, 44, 4, 387-392, https://doi.org/10.1111/j.1472-765X.2006.02087.x
. [all data]
Chyau, Tsai, et al., 2007
Chyau, C.-C.; Tsai, S.-Y.; Yang, J.-H.; Weng, C.-C.; Han, C.-M.; Shih, C.-C.; Mau, J.-L.,
The essential oil of Glossogyne tenuifolia,
Food Chem., 2007, 100, 2, 808-812, https://doi.org/10.1016/j.foodchem.2005.10.044
. [all data]
Hachicha, Skanji, et al., 2007
Hachicha, S.F.; Skanji, T.; Barrek, S.; Ghrabi, Z.G.; Zarrouk, H.,
Composition of the essential oil of Teucrium ramosissimum Desf. (Lamiaceae) from Tunisia,
Flavour Fragr. J., 2007, 22, 2, 101-104, https://doi.org/10.1002/ffj.1764
. [all data]
Kurose, Okamura, et al., 2007
Kurose, K.; Okamura, D.; Yatagai, M.,
Composition of the essential oils from the leaves of nine Pinus species and the cones of three of Pinus species,
Flavour Fragr. J., 2007, 22, 1, 10-20, https://doi.org/10.1002/ffj.1609
. [all data]
Vichi, Riu-Aumatell, et al., 2007
Vichi, S.; Riu-Aumatell, M.; Mora-Pons, M.; Guadayol, J.M.; Buxaderas, S.; López-Tamames, E.,
Analytical, Nutritional and Clinical Methods. HS-SPME coupled to GC/MS for quality control of Juniperus communis L. berries used for gin aromatization,
Food Chem., 2007, 105, 4, 1748-1754, https://doi.org/10.1016/j.foodchem.2007.03.026
. [all data]
Bendimerad and Bendiab, 2005
Bendimerad, N.; Bendiab, S.A.T.,
Composition and antibacterial activity of Pseudocytisus integrifolius (Salisb.) essential oil from Algeria,
J. Agric. Food Chem., 2005, 53, 8, 2947-2952, https://doi.org/10.1021/jf047937u
. [all data]
Gauvin and Smadja, 2005
Gauvin, A.; Smadja, J.,
Essential oil composition of four Psiadia species from Reunion Island: A chemotaxonomic study,
Biochem. Syst. Ecol., 2005, 33, 7, 705-714, https://doi.org/10.1016/j.bse.2004.12.013
. [all data]
Ka, Choi, et al., 2005
Ka, M.-H.; Choi, E.H.; Chun, H.-S.; Lee, K.-G.,
Antioxidative Activity of Volatile Extracts Isolated from Angelica tenuissimae Roots, Peppermint Leaves, Pine Needles, and Sweet Flag Leaves,
J. Agric. Food Chem., 2005, 53, 10, 4124-4129, https://doi.org/10.1021/jf047932x
. [all data]
Lee, Umano, et al., 2005
Lee, S.-J.; Umano, K.; Shibamoto, T.; Lee, K.-G.,
Identification of volatile components in basil (Ocimum basilicum L.) and thyme leaves (Thymus vulgaris L.) and their antioxidant properties,
Food Chem., 2005, 91, 1, 131-137, https://doi.org/10.1016/j.foodchem.2004.05.056
. [all data]
Njoroge, Koaze, et al., 2005
Njoroge, S.M.; Koaze, H.; Karanja, P.N.; Sawamura, M.,
Essential oil constituents of three varieties of Kenyan sweet oranges (Citrus sinensis),
Flavour Fragr. J., 2005, 20, 1, 80-85, https://doi.org/10.1002/ffj.1377
. [all data]
Stevanovic, Garneau, et al., 2005
Stevanovic, T.; Garneau, F.-X.; Jean, F.-I.; Gagnon, H.; Vilotic, D.; Petrovic, S.; Ruzic, N.; Pichette, A.,
The essential oil composition of Pinus mugo Turra from Serbia,
Flavour Fragr. J., 2005, 20, 1, 96-97, https://doi.org/10.1002/ffj.1390
. [all data]
Vichi, Riu-Aumatell, et al., 2005
Vichi, S.; Riu-Aumatell, M.; Mora-Pons, M.; Buxaderas, S.; Lopez-Tamames, E.,
Characterization of Volatiles in Different Dry Gins,
J. Agric. Food Chem., 2005, 53, 26, 10154-10160, https://doi.org/10.1021/jf058121b
. [all data]
Choi, 2004
Choi, H.-S.,
Volatile constituents of satsuma mandarins growing in Korea,
Flavour Fragr. J., 2004, 19, 5, 406-412, https://doi.org/10.1002/ffj.1283
. [all data]
Choi, 2004, 2
Choi, H.-S.,
Aroma evaluation of an aquatic herb, changpo (Acorus calamus Var. angustatus Bess), by AEDA and SPME,
J. Agric. Food Chem., 2004, 52, 26, 8099-8104, https://doi.org/10.1021/jf040239p
. [all data]
Lin, Cai, et al., 2003
Lin, P.; Cai, J.; Li, J.; Sang, W.; Su, Q.,
Constituents of the essential oil of Hemerocallis flava day lily,
Flavour Fragr. J., 2003, 18, 6, 539-541, https://doi.org/10.1002/ffj.1264
. [all data]
Mookdasanit, Tamura, et al., 2003
Mookdasanit, J.; Tamura, H.; Yoshizawa T.; Tokunaga T.; Nakanishi, K.,
Trace Volatile Compounds in Essential Oil of Citrus Sudachi by Means of Modified Solvent Extraction Method,
Food Sci Technol. Res., 2003, 9, 1, 54-61, https://doi.org/10.3136/fstr.9.54
. [all data]
Suleimenov, Atazharova, et al., 2003
Suleimenov, E.M.; Atazharova, G.A.; Demirchi, B.; Baser, K.H.C.; Adekenov, S.M.,
Essential oil composition of Artemisia Lercheana and A. Sieversiana of Kazakhstan flora
in Recent problems of development of new medicines of natural origin, Proceedings of symposium, St.Petersburg - Pushkin, 2003, 382-385. [all data]
Tu, Onishi, et al., 2002
Tu, N.T.M.; Onishi, Y.; Choi, H.-S.; Kondo, Y.; Bassore, S.M.; Ukeda, H.; Sawamura, M.,
Characteristic odor components of Citrus sphaerocarpa Tanaka (Kabosu) cold-pressed peel oil,
J. Agric. Food Chem., 2002, 50, 10, 2908-2913, https://doi.org/10.1021/jf011578a
. [all data]
Tu, Thanh, et al., 2002
Tu, N.T.M.; Thanh, L.X.; Une, A.; Ukeda, H.; Sawamura, M.,
Volatile constituents of Vietnamese pummelo, orange, tangerine and lime peel oils,
Flavour Fragr. J., 2002, 17, 3, 169-174, https://doi.org/10.1002/ffj.1076
. [all data]
Vernin, Lageot, et al., 2001
Vernin, G.; Lageot, C.; Gaydou, E.M.; Parkanyi, C.,
Analysis of the essential oil of Lippia graveolens HBK from El Salvador,
Flavour Fragr. J., 2001, 16, 3, 219-226, https://doi.org/10.1002/ffj.984
. [all data]
Korány, Mednyánszky, et al., 2000
Korány, K.; Mednyánszky, Zs.; Amtmann, M.,
Preliminary results of a recognition method visualizing the aroma and fragrance features,
Acta Aliment., 2000, 29, 2, 187-198, https://doi.org/10.1556/AAlim.29.2000.2.9
. [all data]
Kaya, Baser, et al., 1999
Kaya, A.; Baser, K.H.C.; Demirci, B.; Koca, F.,
The essential oil of Acinos alpinus (L.) Moench growing in Turkey,
Flavour Fragr. J., 1999, 14, 1, 55-59, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<55::AID-FFJ784>3.0.CO;2-Q
. [all data]
Bignell, Dunlop, et al., 1998
Bignell, C.M.; Dunlop, P.J.; Brophy, J.J.,
Volatile leaf oils of some South-Western and Southern Australian species of the genus Eucalyptus (Series 1). Part XIX,
Flavour Fragr. J., 1998, 13, 2, 131-139, https://doi.org/10.1002/(SICI)1099-1026(199803/04)13:2<131::AID-FFJ710>3.0.CO;2-X
. [all data]
Egolf and Jurs, 1993
Egolf, L.M.; Jurs, P.C.,
Quantitative structure-retention and structure-odor intensity relationships for a diverse group of odor-active compounds,
Anal. Chem., 1993, 65, 21, 3119-3126, https://doi.org/10.1021/ac00069a027
. [all data]
Shimoda, Shiratsuchi, et al., 1993
Shimoda, M.; Shiratsuchi, H.; Minegishi, Y.; Osajima, Y.,
Flavor deterioration of nonfermented coarse-cut sausage during storage. Flavor as a factor of quality for nonfermented sausage. 2,
J. Agric. Food Chem., 1993, 41, 6, 946-950, https://doi.org/10.1021/jf00030a021
. [all data]
Wyllie, Brophy, et al., 1990
Wyllie, S.G.; Brophy, J.J.; Sarafis, V.; Hobbs, M.,
Volatile Components of the Fruit of Pistacia Lentiscus,
J. Food. Sci., 1990, 55, 5, 1325-1326, https://doi.org/10.1111/j.1365-2621.1990.tb03926.x
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.