Benzene, 1-methyl-4-(1-methylethenyl)-

• Formula: C₁₀H₁₂
• Molecular weight: 132.2023
• IUPAC Standard InChI: InChI=1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3 Copy

  
• IUPAC Standard InChIKey: MMSLOZQEMPDGPI-UHFFFAOYSA-N Copy
• 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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• Information on this page:
  • Kovats' RI, non-polar column, temperature ramp
  • References
  • Notes
• Other data available:
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Kovats' RI, non-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

References

Go To: Top, Kovats' RI, non-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.

Angioni, Barra, et al., 2006
Angioni, A.; Barra, A.; Coroneo, V.; Dessi, S.; Cabras, P., Chemical composition, seasonal variability, and antifungal activity of Lavandula stoechas L. ssp. stoechas essential oils from stem/leaves and flowers, J. Agric. Food Chem., 2006, 54, 12, 4364-4370, https://doi.org/10.1021/jf0603329 . [all data]

Hazzit, Baaliouamer, et al., 2006
Hazzit, M.; Baaliouamer, A.; Faleiro, M.L.; Miguel, M.G., Composition of the Essential Oils of Thymus and Origanum Species from Algeria and Their Antioxidant and Antimicrobial Activities, J. Agric. Food Chem., 2006, 54, 17, 6314-6321, https://doi.org/10.1021/jf0606104 . [all data]

Gauvin, Lecomte, et al., 2004
Gauvin, A.; Lecomte, H.; Smadja, J., Comparative investigations of the essential oils of two scented geranium (Pelargonium spp.) cultivars grown on Reunion Island, Flavour Fragr. J., 2004, 19, 5, 455-460, https://doi.org/10.1002/ffj.1354 . [all data]

Siani, Garrido, et al., 2004
Siani, A.C.; Garrido, I.S.; Monteiro, S.S.; Carvalho, E.S.; Ramos, M.F.S., Protium icicariba as a source of volatile essences, Biochem. Syst. Ecol., 2004, 32, 5, 477-489, https://doi.org/10.1016/j.bse.2003.11.003 . [all data]

Gkinis, Tzakou, et al., 2003
Gkinis, G.; Tzakou, O.; Iliopoulou, D.; Roussis, V., Chemical Composition and Biological Activity of Nepeta parnassica Oils and Isolated Nepetalactones, Z. Naturforsch. C:, 2003, 58, 681-686. [all data]

Ogunwande, Olawore, et al., 2003
Ogunwande, I.A.; Olawore, N.O.; Adeleke, K.A.; Ekundayo, O.; Koenig, W.A., Chemical composition of the leaf volatile oil of Psidium guajava L. growing in Nigeria, Flavour Fragr. J., 2003, 18, 2, 136-138, https://doi.org/10.1002/ffj.1175 . [all data]

Ogunwande, Olawore, et al., 2003, 2
Ogunwande, I.A.; Olawore, N.O.; Kasali, A.A.; König, W.A., Chemical composition of the leaf volatile oils of Callitris intratropica R.T. Baker H.G. Smith from Nigeria, Flavour Fragr. J., 2003, 18, 5, 387-389, https://doi.org/10.1002/ffj.1214 . [all data]

El-Ghorab, Fadel, et al., 2002
El-Ghorab, A.H.; Fadel, H.M.; El-Massry, K.F., The Egyptian Eucalyptus camaldulensis var. brevirostris: chemical compositions of the fruit volatile oil and antioxidant activity, Flavour Fragr. J., 2002, 17, 4, 306-312, https://doi.org/10.1002/ffj.1085 . [all data]

Kasali, Adio, et al., 2002
Kasali, A.A.; Adio, A.M.; Oyedeji, A.O.; Eshilokun, A.O.; Adefenwa, M., Volatile constituents of Boswellia serrata Roxb. (Burseraceae) bark, Flavour Fragr. J., 2002, 17, 6, 462-464, https://doi.org/10.1002/ffj.1124 . [all data]

Raina, Lal, et al., 2002
Raina, V.K.; Lal, R.K.; Tripathi, S.; Khan, M.; Syamasundar, K.V.; Srivastava, S.K., Erratum. Essential oil composition of genetically diverse stocks of Murraya koenigii from India, Flavour Fragr. J., 2002, 17, 5, 404, https://doi.org/10.1002/ffj.1139 . [all data]

Salido, Altarejos, et al., 2002
Salido, S.; Altarejos, J.; Nogueras, M.; Sánchez, A.; Pannecouque, C.; Witvrouw, M.; De Clercq, E., Chemical studies of essential oils of Juniperus oxycedrus ssp. badia, J. Ethnopharmacol., 2002, 81, 1, 129-134, https://doi.org/10.1016/S0378-8741(02)00045-4 . [all data]

Gudzic, Dordevic, et al., 2001
Gudzic, B.; Dordevic, S.; Palic, R.; Stojanovic, G., Essential oils of Hypericum olympicum L. and Hypericum perforatum L., Flavour Fragr. J., 2001, 16, 3, 201-203, https://doi.org/10.1002/ffj.978 . [all data]

Adams, 2000
Adams, R.P., Systematics of the one seeded Juniperus of the eastern hemisphere based on leaf essential oils and random amplified polymorphic DNAs (RAPDs), Biochem. Syst. Ecol., 2000, 28, 6, 529-543, https://doi.org/10.1016/S0305-1978(99)00096-4 . [all data]

Ramos, Siani, et al., 2000
Ramos, M.F.S.; Siani, A.C.; Tappin, M.R.R.; Guimaraes, A.C.; Lahoz, J.E.; Ribeiro, J.E.L.S., Essential oils from oleoresins of Protium spp. of the Amazon region, Flavour Fragr. J., 2000, 15, 6, 383-387, https://doi.org/10.1002/1099-1026(200011/12)15:6<383::AID-FFJ927>3.0.CO;2-X . [all data]

Senatore and de Feo, 1999
Senatore, F.; de Feo, V., Chemical composition of the essential oil from Tagetes mandonii Sch. Bip. (Asteraceae), Flavour Fragr. J., 1999, 14, 1, 32-34, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<32::AID-FFJ772>3.0.CO;2-7 . [all data]

Siani, Ramos, et al., 1999
Siani, A.C.; Ramos, M.F.S.; Menezes-de-Lima, O., Jr.; Ribeiro-dos-Santos, R.; Fernadez-Ferreira, E.; Soares, R.O.A.; Rosas, E.C.; Susunaga, G.S.; Guimarães, A.C.; Zoghbi, M.G.B.; Henriques, M.G.M.O., Evaluation of anti-inflammatory-related activity of essential oils from the leaves and resin of species of Protium, J. Ethnopharmacol., 1999, 66, 1, 57-69, https://doi.org/10.1016/S0378-8741(98)00148-2 . [all data]

de Feo, Porta, et al., 1998
de Feo, V.; Porta, G.D.; Urrunaga Soria, E.; Urrunaga Soria, R.; Senatore, F., Composition of the essential oil of Tagetes filifolia Lag., Flavour Fragr. J., 1998, 13, 3, 145-147, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<145::AID-FFJ707>3.0.CO;2-Q . [all data]

Notes

Go To: Top, Kovats' RI, non-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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