Benzene, 1-methyl-4-(1-methylethenyl)-
- Formula: C10H12
- Molecular weight: 132.2023
- IUPAC Standard InChIKey: MMSLOZQEMPDGPI-UHFFFAOYSA-N
- CAS Registry Number: 1195-32-0
- 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. - Other names: p-Cymenene; Styrene, p,α-dimethyl-; α,p-Dimethylstyrene; α,4-Dimethylstyrene; p-Isopropenyl toluene; p-Methyl-α-methylstyrene; p,α-Dimethylstyrene; Dehydro-p-cymene; 1-Methyl-4-isopropenylbenzene; 2-(p-Methylphenyl)propene; 2-p-Tolylpropene; 4-Isopropenyltoluene; 4-Methyl-α-methylstyrene; 1-Methyl-4-(1-methylethenyl)-benzene; 1-methyl-4α-methylstyrene; Methyl-4-(1-methylethenyl)-benzene; para- α-Dimethylstyrene; 4-CH3C6H4C(CH3)CH2; 1-p-Tolyl-1-methylethylene; 4-Methylisopropenylbenzene; NSC 361058; 1-Isopropenyl-4-methylbenzene; Cymenene; α-dimethyl-p-styrene; p,α-Dimethylstyrol; Styrene, α,4-dimethyl; Dimethyl-p-styrene
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Van Den Dool and Kratz 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 | BP-20 | BP-20 | RTX-Wax | BP-20 | BP-20 |
Column length (m) | 50. | 50. | 60. | 50. | 50. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.22 | 0.22 | 0.22 | 0.22 | 0.22 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 60. | 60. | 60. |
Tend (C) | 220. | 220. | 230. | 220. | 220. |
Heat rate (K/min) | 2. | 2. | 2. | 2. | 2. |
Initial hold (min) | |||||
Final hold (min) | 20. | 20. | 30. | 20. | 20. |
I | 1435. | 1432. | 1432. | 1432. | 1438. |
Reference | Duquesnoy, Castola, et al., 2007 | Lesueur, de Rocca Serra, et al., 2007 | Muselli, Rossi, et al., 2007 | Boti, Bighelli, et al., 2006 | Gonny, Cavaleiro, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BP-20 | RTX-Wax | Supelcowax-10 | Carbowax 20M | RTX-Wax |
Column length (m) | 50. | 60. | 60. | 60. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.22 | 0.22 | 0.2 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.2 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 60. | 45. | 45. |
Tend (C) | 220. | 220. | 200. | 250. | 250. |
Heat rate (K/min) | 2. | 2. | 2. | 2. | 3. |
Initial hold (min) | 0.17 | 6. | |||
Final hold (min) | 20. | 20. | 10. | ||
I | 1437. | 1417. | 1400. | 1417. | 1415. |
Reference | Boti J.B., Koukoua G., et al., 2005 | Cozzani, Muselli, et al., 2005 | Smadja, Rondeau, et al., 2005 | Verzera, Campisi, et al., 2005 | Shellie, Marriott, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BP-20 | AT-Wax | BP-20 | CP-Wax 52CB | CP-Wax 52CB |
Column length (m) | 50. | 60. | 50. | 50. | 60. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.22 | 0.32 | 0.22 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.2 | 0.25 |
Tstart (C) | 60. | 65. | 60. | 32. | 45. |
Tend (C) | 220. | 250. | 220. | 220. | 250. |
Heat rate (K/min) | 2. | 2. | 2. | 1. | 2. |
Initial hold (min) | 10. | 1. | 0.17 | ||
Final hold (min) | 20. | 60. | 20. | ||
I | 1432. | 1425. | 1431. | 1411. | 1417. |
Reference | Lota, de Rocca Serra, et al., 2002 | Pino, Marbot, et al., 2002 | Pintore, Usai, et al., 2002 | Kjeldsen, Christensen, et al., 2001 | Verzera, Campisi, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | CP-Wax 52CB | BP-20 | SP-1000 | DB-Wax |
Column length (m) | 60. | 25. | 50. | 85. | 60. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.53 | 0.25 | 0.22 | 0.5 | 0.32 |
Phase thickness (μm) | 1.0 | 0.15 | 0.25 | ||
Tstart (C) | 50. | 40. | 60. | 60. | 65. |
Tend (C) | 220. | 220. | 230. | 225. | 225. |
Heat rate (K/min) | 3. | 3. | 2. | 3. | 3. |
Initial hold (min) | 5. | ||||
Final hold (min) | 35. | ||||
I | 1438. | 1425. | 1432. | 1435. | 1435. |
Reference | Brophy, Goldsack, et al., 2000 | Chagonda, Makanda, et al., 2000 | Lota, de Rocca Serra, et al., 2000 | Brophy, Forster, et al., 1998 | Brophy, Goldsack, et al., 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Duquesnoy, Castola, et al., 2007
Duquesnoy, E.; Castola, V.; Casanova, J.,
Composition and chemical variability of the twig oil of Abies alba Miller from Corsica,
Flavour Fragr. J., 2007, 22, 4, 293-299, https://doi.org/10.1002/ffj.1796
. [all data]
Lesueur, de Rocca Serra, et al., 2007
Lesueur, D.; de Rocca Serra, D.; Bighelli, A.; Hoi, T.M.; Ban, N.K.; Thai, T.H.; Casanova, J.,
Chemical composition and antibacterial activity of the essential oil of Michelia foveolata Merryll ex Dandy from Vietnam,
Flavour Fragr. J., 2007, 22, 4, 317-321, https://doi.org/10.1002/ffj.1799
. [all data]
Muselli, Rossi, et al., 2007
Muselli, A.; Rossi, P.-G.; Desjobert, J.-M.; Bernardini, A.-F.; Berti, L.; Costa, J.,
Chemical composition and antibacterial activity of Otanthus maritimus (L.) Hoffmanns. Link essential oils from Corsica,
Flavour Fragr. J., 2007, 22, 3, 217-223, https://doi.org/10.1002/ffj.1787
. [all data]
Boti, Bighelli, et al., 2006
Boti, J.B.; Bighelli, A.; Cavaleiro, C.; Salgueiro, L.; Casanova, J.,
Chemical variability of Juniperus oxycedrus ssp. oxycedrus berry and leaf oils from Corsica, analysed by combination of GC, GC-MS and 13C-NMR,
Flavour Fragr. J., 2006, 21, 2, 268-273, https://doi.org/10.1002/ffj.1579
. [all data]
Gonny, Cavaleiro, et al., 2006
Gonny, M.; Cavaleiro, C.; Salgueiro, L.; Casanova, J.,
Analysis of Juniperus communis subsp. alpina needle, berry, wood and root oils by combination of GC, GC/MS and 13C-NMR,
Flavour Fragr. J., 2006, 21, 1, 99-106, https://doi.org/10.1002/ffj.1527
. [all data]
Boti J.B., Koukoua G., et al., 2005
Boti J.B.; Koukoua G.; N'Guessan T.Y.; Muselli A.; Bernardini A.F.; Casanova J.,
Composition of the leaf, stem bark and root bark oils of Isolona cooperi investigated by GC (retention index), GC-MS and C-13-NMR spectroscopy,
Phytochem. Anal., 2005, 16, 5, 357-363, https://doi.org/10.1002/pca.857
. [all data]
Cozzani, Muselli, et al., 2005
Cozzani, S.; Muselli, A.; Desjobert, J.-M.; Bernardini, A.-F.; Tomi, F.; Casanova, J.,
Chemical composition of essential oil of Teucrium polium subsp. capitatum (L.) from Corsica,
Flavour Fragr. J., 2005, 20, 4, 436-441, https://doi.org/10.1002/ffj.1463
. [all data]
Smadja, Rondeau, et al., 2005
Smadja, J.; Rondeau, P.; Sing, A.S.C.,
Volatile constituents of five Citrus Petitgrain essential oils from Reunion,
Flavour Fragr. J., 2005, 20, 4, 399-402, https://doi.org/10.1002/ffj.1438
. [all data]
Verzera, Campisi, et al., 2005
Verzera, A.; Campisi, S.; Zappalá, M.,
SUPELCO. Using SPME-GC-MS to characterize volatile components of honey as indicators of botanical origin, 2005, retrieved from http://www.sigmaaldrich.com/Brands/SupelcoHome/TheReporter.html. [all data]
Shellie, Marriott, et al., 2003
Shellie, R.; Marriott, P.; Zappia, G.; Mondello, L.; Dugo, G.,
Interactive use of linear retention indices on polar and apolar columns with an MS-Library for reliable characterization of Australian tea tree and other Melaleuca sp. oils,
J. Essent. Oil Res., 2003, 15, 5, 305-312, https://doi.org/10.1080/10412905.2003.9698597
. [all data]
Lota, de Rocca Serra, et al., 2002
Lota, M.-L.; de Rocca Serra, D.; Tomi, F.; Jacquemond, C.; Casanova, J.,
Volatile components of peel and leaf oils of lemon and lime species,
J. Agric. Food Chem., 2002, 50, 4, 796-805, https://doi.org/10.1021/jf010924l
. [all data]
Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Vázquez, C.,
Characterization of volatile in Cosa Rican Guava [Psidium friedrichsthalianum (Berg) Niedenzu] fruit,
J. Agric. Food Chem., 2002, 50, 21, 6023-6026, https://doi.org/10.1021/jf011456i
. [all data]
Pintore, Usai, et al., 2002
Pintore, G.; Usai, M.; Bradesi, P.; Juliano, C.; Boatto, G.; Tomi, F.; Chessa, M.; Cerri, R.; Casanova, J.,
Chemical composition and antimicrobial activity of Rosmarinus officinalis L. oils from Sardinia and Corsica,
Flavour Fragr. J., 2002, 17, 1, 15-19, https://doi.org/10.1002/ffj.1022
. [all data]
Kjeldsen, Christensen, et al., 2001
Kjeldsen, F.; Christensen, L.P.; Edelenbos, M.,
Quantitative analysis of aroma compounds in carrot (Daucus carota L.) cultivars by capillary gas chromatography using large-volume injection technique,
J. Agric. Food Chem., 2001, 49, 9, 4342-4348, https://doi.org/10.1021/jf010213n
. [all data]
Verzera, Campisi, et al., 2001
Verzera, A.; Campisi, S.; Zappalá, M.; Bonaccorsi, I.,
SPME-GC-MS analysis of honey volatile components for the characterization of different floral origin,
Am. Lab. Fairfield Conn., 2001, 33, 15, 18-21. [all data]
Brophy, Goldsack, et al., 2000
Brophy, J.J.; Goldsack, R.J.; Punruckvong, A.; Bean, A.R.; Forster, P.I.; Lepschi, B.J.; Doran, J.C.; Rozefelds, A.C.,
Leaf essential oils of the genus Leptospermum (Myrtaceae) in eastern Australia. Part 7. Leptospermum petersonii, L. liversidgei and allies,
Flavour Fragr. J., 2000, 15, 5, 342-351, https://doi.org/10.1002/1099-1026(200009/10)15:5<342::AID-FFJ924>3.0.CO;2-V
. [all data]
Chagonda, Makanda, et al., 2000
Chagonda, L.S.; Makanda, C.D.; Chalchat, J.-C.,
The essential oils of Ocimum canum Sims (basilic camphor) and Ocimum urticifolia Roth from Zimbabwe,
Flavour Fragr. J., 2000, 15, 1, 23-26, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<23::AID-FFJ866>3.0.CO;2-W
. [all data]
Lota, de Rocca Serra, et al., 2000
Lota, M.-L.; de Rocca Serra, D.; Tomi, F.; Casanova, J.,
Chemical variability of peel and leaf essential oils of mandarins from Citrus reticulata Blanco,
Biochem. Syst. Ecol., 2000, 28, 1, 61-78, https://doi.org/10.1016/S0305-1978(99)00036-8
. [all data]
Brophy, Forster, et al., 1998
Brophy, J.J.; Forster, P.I.; Goldsack, R.J.,
The essential oils of three unusual Eucalypts: Eucalyptus curtisii, E. rubiginosa and E. tenuipes (Myrtaceae),
Flavour Fragr. J., 1998, 13, 2, 87-89, https://doi.org/10.1002/(SICI)1099-1026(199803/04)13:2<87::AID-FFJ699>3.0.CO;2-Y
. [all data]
Brophy, Goldsack, et al., 1997
Brophy, J.J.; Goldsack, R.J.; Forster, P.I.,
The essential oils of the Australian species of Rhodomyrtus (Myrtaceae),
Flavour Fragr. J., 1997, 12, 2, 103-108, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<103::AID-FFJ621>3.0.CO;2-B
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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
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