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, 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-1 | 5 % Phenyl polydimethyl siloxane | HP-5 | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | |
Carrier gas | Helium | Hydrogen | Nitrogen | Helium | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.20 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.32 | |
Program | not specified | 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min) | not specified | 35 0C (10 min) 3 0C/min -> 205 0C 10 0C/min -> 225 0C | 60 0C (1 min) 3 0C/min -> 140 0C 50 0C/min -> 250 0C (3 min) |
I | 1238. | 1200. | 1237. | 1238. | 1239. |
Reference | Rodriques, Amorim, et al., 2013 | Albano, Lima, et al., 2012 | Chaverri, Diaz, et al., 2011 | Laribi, Kouki, et al., 2011 | Nezhadali and Parsa, 2010 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 MS | HP-5 | SLB-5 MS | SLB-5 MS | HP-5MS |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | 50 0C (3 min) 3 0C/min -> 160 0C (10 min) 3 0C/min -> 240 0C | not specified | 50 0C 3 0C/min -> 250 0C (1 min) 10 0C/min -> 300 0C (5 min) | not specified | 40 0C (2 min) 3 0C/min -> 180 0C (2 min) 15 0C -> 280 0C |
I | 1243. | 1238. | 1247. | 1238. | 1279. |
Reference | Sharifiar, Yassa, et al., 2010 | Riahi, Pourbasheer, et al., 2009 | Costa, De Fina, et al., 2008 | Costa, De Fina, et al., 2008 | Ning, Zheng, et al., 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 MS | HP-5 MS | DB-1 | DB-5 | BPX-5 |
Column length (m) | 30. | 30. | 30. | 50. | 30. |
Carrier gas | Helium | Helium | H2 | Helium | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 40 0C (2 min) 4 0C/min -> 220 0C 20 0C/min -> 280 0C | 40 0C (2 min) 4 0C/min -> 220 0C 20 0C/min -> 280 0C | 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min) | 60 0C (1 min) 5 0C/min -> 160 0C 10 0C/min -> 250 0C | 50C => 3C/min => 150C(10min) => 10C/min => 250C |
I | 1228. | 1232. | 1200. | 1242. | 1215. |
Reference | Xie, Sun, et al., 2008 | Xie, Sun, et al., 2008 | Kamatou, Viljoen, et al., 2007 | Nivinsliene, Butkiene, et al., 2007 | Salamci, Kordali, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | 5 % Phenyl methylsiloxane | HP-5MS | BPX-5 | HP-5MS | HP-5MS |
Column length (m) | 30. | 30. | 30. | 30. | |
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 | ||
Program | not specified | 40C(10min) => 3C/min => 200C => 2C/min => 220C | 50C => 3C/min => 150C(10min) => 10C/min => 250C | 60C => 1.5C/min => 185C(1min) => 9C/min => 275C(2min) | 60C(1min) => 1.5C => 185C => 9C/min => 275C (2min) |
I | 1258. | 1238. | 1216. | 1242. | 1246. |
Reference | Serrano, Cornu, et al., 2007 | Takaku, Haber, et al., 2007 | Baris, Güllüce, et al., 2006 | Singh, Marimuthu, et al., 2006 | Singh G., Maurya S., et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-52 | DB-1 | DB-5 | SE-30 | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.15 | 0.25 | 0.25 | 0.25 | |
Program | 45C => 1C/min => 100C => 5C/min => 250C (10min) | 45C => 3C/min => 175C => 15C/min => 300C(10min) | 40C(1min) => 9C/min => 130C => 2C/min => 230C | not specified | 40C (1min) => 9C/min => 130C => 2C/min => 230C |
I | 1242. | 1200. | 1235. | 1226. | 1235. |
Reference | Tognolini, Barocelli, et al., 2006 | Belhattab, Larous, et al., 2005 | Hamm, Bleton, et al., 2005 | Vinogradov, 2004 | Hamm, Lesellier, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5MS | CP Sil 5 CB | DB-1 | CP Sil 5 CB | DB-1 |
Column length (m) | 30. | 25. | 30. | 25. | 30. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.39 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.24 | 0.25 | 0.39 | 0.25 | |
Program | not specified | not specified | 45C => 3C/min => 175C => 15C/min => 240C (10min) | not specified | 45C => 3C/min => 175C => 15C/min => 280C |
I | 1189. | 1215. | 1200. | 1212. | 1200. |
Reference | Stashenko, Jaramillo, et al., 2002 | Weyerstahl, Marschall, et al., 1999 | Baratta, Dorman, et al., 1998 | Weyerstahl, Marschall, et al., 1998 | Gaspar, Palma, et al., 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | CP Sil 5 CB | Polydimethyl siloxanes | OV-101 |
Column length (m) | 30. | ||
Carrier gas | N2 | ||
Substrate | |||
Column diameter (mm) | 0.25 | ||
Phase thickness (μm) | |||
Program | not specified | not specified | not specified |
I | 1214. | 1226. | 1227. |
Reference | Weyerstahl, Marschall, et al., 1997 | Zenkevich, 1997 | Shibamoto, 1987 |
Comment | 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.
Rodriques, Amorim, et al., 2013
Rodriques, K.A. da.F.; Amorim, L.V.; de Oliveira, J.M.G.; Dias, C.N.; Moraes, D.F.C.; Andrade, E.H. deA.; Maia, J.G.S.; Carneiro, S.M.P.; Carvalho, F.A. deA.,
Eugenia uniflora L. essential oil as a potential anti-Leishmania agent: effect on Leishmania amazonensis and possible mechanism of action,
Evidence-Based Complementary and Alternative Medicine, 2013, 2013, 1-10, https://doi.org/10.1155/2013/279726
. [all data]
Albano, Lima, et al., 2012
Albano, S.M.; Lima, A.S.; Miguel, M.G.; Pedro, L.G.; Barroso, J.G.; Figueiredo, A.C.,
Antioxidant, anti-5-lipoxygenase and antiacetylcholinesterase activities of essential oils and decoction water of some aromatic plants,
Rec. Nat. Prod., 2012, 6, 1, 35-48. [all data]
Chaverri, Diaz, et al., 2011
Chaverri, C.; Diaz, C.; Cicco, J.F.,
Chemical analysis of essential oils from Ocotea gomezii W.C. Burger and Ocotea morae Gomez-Laur. (Lauraceae) collected at Reserva biologica Alberto M. Brenes in Costa Rica and their cytotoxic activity on Tumor cell lines,
J. Braz. Chem. Soc., 2011, 22, 4, s1-s4, https://doi.org/10.1590/S0103-50532011000400018
. [all data]
Laribi, Kouki, et al., 2011
Laribi, B.; Kouki, K.; Sahli, A.; Mougou, A.; Marzouk, B.,
Essential oil fatty acids composition of a Tunisian caraway (Carum carvi L.) seed ecotype cultivated under water deficit,
Adv. Environ. Biol., 2011, 1-15, retrieved from http://www.thefreelibrary.com//print/PrintArticle.aspx?id=253057768. [all data]
Nezhadali and Parsa, 2010
Nezhadali, A.; Parsa, M.,
Study of the volatile compounds in Artemisia Sagebrush from Iran using HS/SPME/GC/MS,
Int. J. Environ. Sci. Development, 2010, 1, 3, 287-289, https://doi.org/10.7763/IJESD.2010.V1.56
. [all data]
Sharifiar, Yassa, et al., 2010
Sharifiar, F.; Yassa, N.; Mozaffarian, V.,
Bioactivity of major components from the seeds of Bunium persicum (Boiss.) Fedtch,
Pakistan J. Pharm. Sci., 2010, 23, 3, 300-304. [all data]
Riahi, Pourbasheer, et al., 2009
Riahi, S.; Pourbasheer, E.; Ganjali, M.R.; Norouzi, P.,
Investigation of different linear and non-linear chemometric methods for modeling of retention index of essential oil components: Concerns to support vector mashine,
J. Hazard. Mat., 2009, 166, 2-3, 853-859, https://doi.org/10.1016/j.jhazmat.2008.11.097
. [all data]
Costa, De Fina, et al., 2008
Costa, R.; De Fina, M.R.; Valentino, M.R.; Rustaiyan, A.; Dugo, P.; Dugo, G.; Mondello, L.,
An investigation on the volatile composition of some Artemisia species from Iran,
Flavour Fragr. J., 2008, 24, 2, 75-82, https://doi.org/10.1002/ffj.1919
. [all data]
Ning, Zheng, et al., 2008
Ning, H.; Zheng, F.; Sun, B.; Xie, J.; Liu, Y.,
Solvent-free microwave extraction of essential oil from Zanthoxylum bungeanum Maxim.,
Food Environ. Ind. (Chinese), 2008, 34, 5, 179-184. [all data]
Xie, Sun, et al., 2008
Xie, J.; Sun, B.; Zheng, F.; Wang, S.,
Volatile flavor constituents in roasted pork of mini-pig,
Food Chem., 2008, 109, 3, 506-514, https://doi.org/10.1016/j.foodchem.2007.12.074
. [all data]
Kamatou, Viljoen, et al., 2007
Kamatou, G.P.P.; Viljoen, A.M.; Figueiredo, A.C.; Tilney, P.M.; Van Zyl, R.L.; Barroso, J.G.; Pedro, L.G.; Van Vuuren, S.F.,
Trichomes, essential oil composition and biological activities of Salvia albanicus Benth. and S. dolomitica Codd, two species from the Cape region of Soith Africa,
South African J. Botany, 2007, 73, 1, 102-108, https://doi.org/10.1016/j.sajb.2006.08.001
. [all data]
Nivinsliene, Butkiene, et al., 2007
Nivinsliene, O.; Butkiene, R.; Gudalevic, A.; Mockute, D.; Meskauskiene, V.; Grigaliunaite, B.,
Influence of urban environment on chemical composition of Tilia cordata essential oil,
Chemija, 2007, 18, 1, 44-49. [all data]
Salamci, Kordali, et al., 2007
Salamci, E.; Kordali, S.; Kotan, R.; Cakir, A.; Kaya, Y.,
Chemical compositions, antimicrobial and herbicidal effects of essential oils isolated from Turkish Tanacetum aucheranum and Tanacetum chiliophyllum var. chiliophyllum,
Biochem. Syst. Ecol., 2007, 35, 9, 569-581, https://doi.org/10.1016/j.bse.2007.03.012
. [all data]
Serrano, Cornu, et al., 2007
Serrano, E.; Cornu, A.; Kondjoyan, N.; Figueredo, G.; Agabriel, J.; Micol, D.,
Terpene accumulation in muscle and fatty tissues of calves supplement with essential oils,
J. Animal Feed Sci., 2007, 16, 168-179. [all data]
Takaku, Haber, et al., 2007
Takaku, S.; Haber, W.A.; Setzer, W.N.,
Leaf essential oil composition of 10 species of Ocotea (Lauraceae) from Monteverde, Costa Rica,
Biochem. Syst. Ecol., 2007, 35, 8, 525-532, https://doi.org/10.1016/j.bse.2007.02.003
. [all data]
Baris, Güllüce, et al., 2006
Baris, Ö.; Güllüce, M.; Sahin, F.; Özer, H.; Kilic, H.; Özkan, H.; Sökmen, M.; Özbek, T.,
Biological Activities of the Essential Oil and Methanol Extract of Achillea biebersteinii Afan. (Asteraceae),
Turk. J. Biol., 2006, 30, 65-73. [all data]
Singh, Marimuthu, et al., 2006
Singh, G.; Marimuthu, P.; de Heluani, C.S.; Catalan, C.A.N.,
Antioxidant and biocidal activities of Carum nigrum (seed) essential oil, oleoresin, and their selected components,
J. Agric. Food Chem., 2006, 54, 1, 174-181, https://doi.org/10.1021/jf0518610
. [all data]
Singh G., Maurya S., et al., 2006
Singh G.; Maurya S.; de Lampasona M.P.; Catalan C.A.N.,
Studies on essential oils, Part 41. Chemical composition, antifungal, antioxidant and sprout suppressant activities of coriander (Coriandrum sativum) essential oil and its oleoresin,
Flavour Fragr. J., 2006, 21, 3, 472-479, https://doi.org/10.1002/ffj.1608
. [all data]
Tognolini, Barocelli, et al., 2006
Tognolini, M.; Barocelli, E.; Ballabeni, V.; Bruni, R.; Bianchi, A.; Chiavarini, M.; Impicciatore, M.,
Comparative screening of plant essential oils: Phenylpropanoid moiety as basic core for antiplatelet activity,
Life Sciences, 2006, 78, 13, 1419-1432, https://doi.org/10.1016/j.lfs.2005.07.020
. [all data]
Belhattab, Larous, et al., 2005
Belhattab, R.; Larous, L.; Figueiredo, A.C.; Santos, P.A.G.; Barroso, J.G.; Pedro, L.G.,
Origanum glandulosum Desf. grown wild in Algeria: essential oil composition and glycosidic bound volatiles,
Flavour Fragr. J., 2005, 20, 2, 209-212, https://doi.org/10.1002/ffj.1387
. [all data]
Hamm, Bleton, et al., 2005
Hamm, S.; Bleton, J.; Connan, J.; Tchapla, A.,
A chemical investigation by headspace SPME and GC-MS of volatile and semi-volatile terpenes in various olibanum samples,
Phytochemistry, 2005, 66, 12, 1499-1514, https://doi.org/10.1016/j.phytochem.2005.04.025
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Hamm, Lesellier, et al., 2003
Hamm, S.; Lesellier, E.; Bleton, J.; Tchapla, A.,
Optimization of headspace solid phase microextraction for gas chromatography/mass spectrometry analysis of widely different volatility and polarity terpenoids in olibanum,
J. Chromatogr. A, 2003, 1018, 1, 73-83, https://doi.org/10.1016/j.chroma.2003.08.027
. [all data]
Stashenko, Jaramillo, et al., 2002
Stashenko, E.E.; Jaramillo, B.E.; Martínez, J.R.,
HRGC/FID/MSD Analysis of Secondary Metabolites Isolated from Xilopia aromatica by Different Extraction Techniques
in 25th International Symposium on Capillary Chromatography, 2002, 1-5. [all data]
Weyerstahl, Marschall, et al., 1999
Weyerstahl, P.; Marschall, H.; Splittgerber, U.; Son, P.T.; Giang, P.M.; Kaul, V.K.,
Constituents of the essential oil from the fruits of Zanthoxylum rhetsoides Drake from Vietnam and from the aerial parts of Zanthoxylum alatum Roxb. from India,
Flavour Fragr. J., 1999, 14, 4, 225-229, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<225::AID-FFJ818>3.0.CO;2-1
. [all data]
Baratta, Dorman, et al., 1998
Baratta, M.T.; Dorman, H.J.; Deans, S.G.; Figueiredo, A.C.; Barroso, J.G.; Ruberto, G.,
Antimicrobial and antioxidant properties of some commercial essential oils,
Flavour Fragr. J., 1998, 13, 4, 235-244, https://doi.org/10.1002/(SICI)1099-1026(1998070)13:4<235::AID-FFJ733>3.0.CO;2-T
. [all data]
Weyerstahl, Marschall, et al., 1998
Weyerstahl, P.; Marschall, H.; Weirauch, M.; Thefeld, K.; Surburg, H.,
Constituents of commercial Labdanum oil,
Flavour Fragr. J., 1998, 13, 5, 295-318, https://doi.org/10.1002/(SICI)1099-1026(1998090)13:5<295::AID-FFJ751>3.0.CO;2-I
. [all data]
Gaspar, Palma, et al., 1997
Gaspar, H.; Palma, F.M.S.B.; de la Torre, M.C.; Rodríguez, B.; Barroso, J.G.; Figueiredo, A.C.,
Composition of the essential oil of Teucrium haenseleri Boiss.,
Flavour Fragr. J., 1997, 12, 5, 355-357, https://doi.org/10.1002/(SICI)1099-1026(199709/10)12:5<355::AID-FFJ656>3.0.CO;2-B
. [all data]
Weyerstahl, Marschall, et al., 1997
Weyerstahl, P.; Marschall, H.; Seelmann, I.; Rustaiyan, A.,
Constituents of the essential oil of Achillea eriophora DC,
Flavour Fragr. J., 1997, 12, 2, 71-78, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<71::AID-FFJ620>3.0.CO;2-E
. [all data]
Zenkevich, 1997
Zenkevich, I.G.,
Analytical Parameters of Components of Essential Oils for their Chromatographic and Chromato-Spectral Identificaiton. Oxsigenated derivatives of Mono- and Sesquiterpene Hydrocarbons,
Rastit, Resursy (Rus.), 1997, 33, 1, 16-28. [all data]
Shibamoto, 1987
Shibamoto, T.,
Retention Indices in Essential Oil Analysis
in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s)., Hutchig Verlag, Heidelberg, New York, 1987, 259-274. [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
- 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.