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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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 | Polydimethyl siloxane with 5 % Ph groups | Polydimethyl siloxane with 5 % Ph groups | HP-5 MS | DB-5 | DB-5 |
Column length (m) | 30. | 60. | 30. | ||
Carrier gas | Helium | Helium | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | ||
Phase thickness (μm) | 0.25 | 1.00 | 0.25 | ||
Program | not specified | not specified | 60 0C (1 min) 10 0C/min -> 180 0C (1 min) 20 0C/min -> 280 0C (15 min) | 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min) | 50 0C m6 0C/min -> 140 0C 5 0C/min -> 160 0C (1 min) 10 0C/min -> 200 0C |
I | 1091. | 1097. | 1118. | 1105. | 1096. |
Reference | Robinson, Adams, et al., 2012 | Robinson, Adams, et al., 2012 | Bai, Liu, et al., 2011 | Miyazaki, Plotto, et al., 2011 | Courtois, Paine, et al., 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | SLB-5 MS | SLB-5 MS | CB-1 | CB-1 |
Column length (m) | 60. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
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 |
Program | 50 0C (5 min) 3 0C/min -> 120 0C 5 0C/min -> 250 0C (3 min) 15 0C/min -> 300 0C (20 min) | 50 0C 3 0C/min -> 250 0C (1 min) 10 0C/min -> 300 0C (5 min) | not specified | 40 0C (2 min) 4 0C/min -> 180 0C 20 0C/min -> 220 0C (1 min) | not specified |
I | 1080. | 1093. | 1089. | 1067. | 1075. |
Reference | Delort and Jaquier, 2009 | Costa, De Fina, et al., 2008 | Costa, De Fina, et al., 2008 | Kannaste, Vongvanich, et al., 2008 | Kannaste, Vongvanich, et al., 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 MS | DB-5 MS | HP-5MS | BPX-5 | SE-52 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.15 |
Program | 80 0C (1.5 min) 4 pC/min -> 180 0C 10 0C/min -> 300 0C (10 min) | 45 0C (0.75 min) 10 0C/min -> 200 0C 30 0C/min -> 245 0C (1.25 min) | 40C(5min) => 2C/min => 250C(15min) => 10C/min => 270C | 50C => 3C/min => 150C(10min) => 10C/min => 250C | 45C => 1C/min => 100C => 5C/min => 250C (10min) |
I | 1090. | 1100. | 1080. | 1103. | 1091. |
Reference | Silva, Doria, et al., 2008 | Cajka, Hajslova, et al., 2007 | Formisano, Mignola, et al., 2007 | Salamci, Kordali, et al., 2007 | Tognolini, Barocelli, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | RTX-5 | CP-Sil5 CB MS | CP Sil 8 CB | SE-30 | SE-30 |
Column length (m) | 30. | 50. | 50. | ||
Carrier gas | N2 | He | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | ||
Phase thickness (μm) | 0.25 | 1.2 | 0.25 | ||
Program | not specified | 36C(2min) => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min) | 50C(5min) => 2C/min => 90C => 15C/min => 240C(4min) | not specified | not specified |
I | 1069. | 1070. | 1091. | 1074. | 1080. |
Reference | Ádámová, Orinák, et al., 2005 | Iraqi, Vermeulen, et al., 2005 | Butkienë, Nivinskienë, et al., 2004 | Vinogradov, 2004 | Vinogradov, 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | OV-101 | DB-5 | DB-1 | DB-1 | CP Sil 5 CB |
Column length (m) | 50. | 30. | 30. | 30. | 50. |
Carrier gas | N2 | He | H2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 1.2 | |
Program | not specified | 40C => 2C/min => 60C => 4C/min => 260C | 40 0C 3 K/min -> 175 0C 15 K/min -> 240 0C (10 min) | 45C => 3C/min => 170C => 15C/min => 300C(10min) | 30C => 55C/min => 85C => 1C/min => 145C => 3C/min => 250C |
I | 1076. | 1090. | 1059. | 1059. | 1081. |
Reference | Yang, 2001 | Andrade, Maia, et al., 2000 | da Silva, Pedro, et al., 2000 | Pedro, da Silva, et al., 1999 | Guyot, Bouseta, et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | RTX-5 | CP Sil 5 CB | DB-5 | SE-54 |
Column length (m) | 30. | 25. | 30. | 30. |
Carrier gas | He | He | He | He |
Substrate | ||||
Column diameter (mm) | 0.53 | 0.25 | 0.32 | |
Phase thickness (μm) | 1.5 | 0.39 | 0.25 | 0.3 |
Program | 35 0C (2 min) 40 0C/min -> 60 0C (1 min) 6 0C/min -> 230 0C | not specified | 60C => 3C/min => 240C => 30C/min => 300C | 35C(2min) => 40C/min => 50C(2min) => 6C/min => 230C(10min) |
I | 1088. | 1075. | 1089. | 1118. |
Reference | Masanetz and Grosch, 1998 | Weyerstahl, Marschall, et al., 1998 | Yusuf, Begum, et al., 1998 | Blank, Fischer, et al., 1989 |
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.
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]
Bai, Liu, et al., 2011
Bai, C.Q.; Liu, Z.L.; Liu, Q.Z.,
Nematicidal constituents from the essential oil of Chenopodium ambrosioides aerial parts,
E-Journal of Chemistry, 2011, 8, S1, s143-s148, https://doi.org/10.1155/2011/470862
. [all data]
Miyazaki, Plotto, et al., 2011
Miyazaki, T.; Plotto, A.; Goodner, K.; Gmitter F.G.,
Distribution of aroma volatile compounds in tangerine hybrids and proposed inheritance,
J. Sci. Food Agric., 2011, 91, 3, 449-460, https://doi.org/10.1002/jsfa.4205
. [all data]
Courtois, Paine, et al., 2009
Courtois, E.A.; Paine, C.E.; Blandinieres, P.-A.; Stien, D.; Bessiere, J.-M.; Houel, E.; Baraloto, C.; Chave, J.,
Diversity of the volatile organic compounds emitted by 55 species of tropical trees: a survey in French Guiana,
J. Chem. Ecol., 2009, 35, 11, 1349-1362, https://doi.org/10.1007/s10886-009-9718-1
. [all data]
Delort and Jaquier, 2009
Delort, E.; Jaquier, A.,
Novel terpenyl esters from Australian finger lime (Citrus australasica) peel extract,
Flav. Fragr. J., 2009, 24, 3, 123-132, https://doi.org/10.1002/ffj.1922
. [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]
Kannaste, Vongvanich, et al., 2008
Kannaste, A.; Vongvanich, N.; Borg-Karlson, A.-K.,
Infestation by a Nalepella species induces emissions of alpha- and beta-farnesenes, (-)-linalool and aromatic compounds in Norway spruce clones of different susceptibility to the large pine weevil,
Anthropod-Plant Interactions, 2008, 2, 1, 31-41, https://doi.org/10.1007/s11829-008-9029-4
. [all data]
Silva, Doria, et al., 2008
Silva, W.L.; Doria, G.A.A.; Maia, R.T.; Nunes, R.S.; Carvalho, G.A.; Blank, A.F.; Alves, P.B.; Marcal, R.M.; Cavalcanti, S.C.H.,
Effects of essential oils on Aedes aegypti larvae: alternatives to environmentally safe insecticides,
Bioresource Technol., 2008, 99, 8, 3251-3255, https://doi.org/10.1016/j.biortech.2007.05.064
. [all data]
Cajka, Hajslova, et al., 2007
Cajka, T.; Hajslova, J.; Cochran, J.; Holadova, K.; Klimankova, E.,
Solid phase microextraction - comprehensive two dimensional gas chromatography - time-of-flight mass spectrometry for the analysis of honey volatiles,
J. Sep. Sci., 2007, 30, 4, 534-546, https://doi.org/10.1002/jssc.200600413
. [all data]
Formisano, Mignola, et al., 2007
Formisano, C.; Mignola, E.; Rigano, D.; Senatore, F.; Bellone, G.; Bruno, M.; Rosselli, S.,
Chemical composition and antimicrobial activity of the essential oil from aerial parts of Micromeria fruticulosa (Bertol.) Grande (Lamiaceae) growing wild in Southern Italy,
Flavour Fragr. J., 2007, 22, 4, 289-292, https://doi.org/10.1002/ffj.1795
. [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]
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]
Ádámová, Orinák, et al., 2005
Ádámová, M.; Orinák, A.; Halás, L.,
Retention indices as identification tool in pyrolysis-capillary gas chromatography,
J. Chromatogr. A, 2005, 1087, 1-2, 131-141, https://doi.org/10.1016/j.chroma.2005.01.003
. [all data]
Iraqi, Vermeulen, et al., 2005
Iraqi, R.; Vermeulen, C.; Benzekri, A.; Bouseta, A.; Collin, S.,
Screening for key odorants in Moroccan green olives by gas chromatography-olfactometry/aroma extract dilution analysis,
J. Agric. Food Chem., 2005, 53, 4, 1179-1184, https://doi.org/10.1021/jf040349w
. [all data]
Butkienë, Nivinskienë, et al., 2004
Butkienë, R.; Nivinskienë, O.; Mockutë, D.,
Chemical composition of unripe and ripe berry essential oils of Juniperus communis L. growing wild in Vilnius district,
Chemija, 2004, 15, 4, 57-63. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Yang, 2001
Yang, R.,
Analysis of the volatile components in peel oil of Yuzu by gas chromatography/mass spectrometry,
Chin. J. Anal. Chem., 2001, 29, 3, 313-316. [all data]
Andrade, Maia, et al., 2000
Andrade, E.H.A.; Maia, J.G.S.; Zoghbi, M.G.B.,
Aroma volatile constituents of Brazilian varieties of mango fruit,
J. Food Comp. Anal., 2000, 13, 1, 27-33, https://doi.org/10.1006/jfca.1999.0841
. [all data]
da Silva, Pedro, et al., 2000
da Silva, J.A.; Pedro, L.G.; Santos, P.A.G.; Figueiredo, A.C.; Barroso, J.G.; Tenreiro, R.P.; Ribeiro, C.A.; Deans, S.G.; Looman, A.; Scheffer, J.J.C.,
Essential oils from seven populations of Juniperus brevifolia (Seub.) Antoine, an endemic species of the Azores,
Flavour Fragr. J., 2000, 15, 1, 31-39, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<31::AID-FFJ862>3.0.CO;2-C
. [all data]
Pedro, da Silva, et al., 1999
Pedro, L.G.; da Silva, J.A.; Barroso, J.G.; Figueiredo, A.C.; Deans, S.G.; Looman, A.; Scheffer, J.J.C.,
Composition of the essential oil fo Chaerophyllum azoricum Trel., an endemic species of the Azores archipelago,
Flavour Fragr. J., 1999, 14, 5, 287-289, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<287::AID-FFJ827>3.0.CO;2-O
. [all data]
Guyot, Bouseta, et al., 1998
Guyot, C.; Bouseta, A.; Scheirman, V.; Collin, S.,
Floral origin markers of chestnut and lime tree honeys,
J. Agric. Food Chem., 1998, 46, 2, 625-633, https://doi.org/10.1021/jf970510l
. [all data]
Masanetz and Grosch, 1998
Masanetz, C.; Grosch, W.,
Key odorants of parsley leaves (Petroselinum crispum [Mill.] Nym. ssp. crispum) by odour-activity values,
Flavour Fragr. J., 1998, 13, 2, 115-124, https://doi.org/10.1002/(SICI)1099-1026(199803/04)13:2<115::AID-FFJ706>3.0.CO;2-6
. [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]
Yusuf, Begum, et al., 1998
Yusuf, M.; Begum, J.; Mondello, L.; Stagno d'Alcontres, I.S.,
Studies on the essential oil bearing plants of Bangladesh. Part VI. Composition of the oil of Ocimum gratissimum L.,
Flavour Fragr. J., 1998, 13, 3, 163-166, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<163::AID-FFJ714>3.0.CO;2-1
. [all data]
Blank, Fischer, et al., 1989
Blank, I.; Fischer, K.-H.; Grosch, W.,
Intensive neutral odourants of linden honey,
Z. Lebensm. Unters. Forsch., 1989, 189, 5, 426-433, https://doi.org/10.1007/BF01028316
. [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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