Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Cyclohexane, 1-methylene-4-(1-methylethenyl)-

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.


IR Spectrum

Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, 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: Coblentz Society, Inc.

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

IR spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

View scan of original (hardcopy) spectrum.

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

Owner COBLENTZ SOCIETY
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INTERNATIONAL FLAVORS & FRAGRANCES, INC.
Source reference COBLENTZ NO. 4981
Date Not specified, most likely prior to 1970
Name(s) 1-isopropenyl-4-methylenecyclohexane
Instrument Not specified, most likely a prism, grating, or hybrid spectrometer.
Resolution 4
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS)

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


Mass spectrum (electron ionization)

Go To: Top, IR Spectrum, Gas Chromatography, 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

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

Due to licensing restrictions, this spectrum cannot be downloaded.

Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Chemical Concepts
NIST MS number 187392

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Gas Chromatography

Go To: Top, IR Spectrum, Mass spectrum (electron ionization), 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

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-51003.da Silva, Zoghbi, et al., 199930. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 60. C; Tend: 240. C

Van Den Dool and Kratz RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-51007.Ceccarini, Macchia, et al., 200430. m/0.25 mm/0.25 «mu»m, 60. C @ 10. min, 5. K/min; Tend: 220. C
CapillaryDB-51005.Flamini, Cioni, et al., 200430. m/0.25 mm/0.25 «mu»m, N2, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryHP-51004.Stashenko, Jaramillo, et al., 200450. m/0.2 mm/0.2 «mu»m, He, 40. C @ 15. min, 3. K/min, 250. C @ 40. min
CapillaryCP Sil 5 CB992.Pino, Marbot, et al., 200230. m/0.25 mm/0.25 «mu»m, H2, 60. C @ 10. min, 2. K/min, 280. C @ 40. min
CapillaryCP Sil 5 CB993.Pino, Marbot, et al., 200150. m/0.32 mm/0.4 «mu»m, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min

Van Den Dool and Kratz RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5MS1006.Andriamaharavo, 201430. m/0.25 mm/0.25 «mu»m, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)
CapillaryBPX-51012.Cardeal, da Silva, et al., 200630. m/0.25 mm/0.25 «mu»m; Program: 35C(5min) => 3C/min => 210C => 40C/min => 240C (4min)

Van Den Dool and Kratz RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryAT-Wax1158.Pino, Marbot, et al., 200160. m/0.32 mm/0.25 «mu»m, He, 65. C @ 10. min, 2. K/min, 250. C @ 60. min

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5 MS1007.Pripdeevech, Chumpolsri, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium, 2. K/min; Tstart: 100. C; Tend: 220. C
CapillaryDB-5 MS1004.Silva, Pott, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryDB-51004.Ho, Wang, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium, 50. C @ 2. min, 5. K/min; Tend: 250. C
CapillaryDB-1990.Monser-Esfahani, Karamkhani, et al., 200730. m/0.25 mm/0.25 «mu»m, Helium, 50. C @ 1. min, 2.5 K/min, 260. C @ 20. min
CapillaryDB-5999.Sylvestre, Longtin, et al., 200730. m/0.25 mm/0.25 «mu»m, 2. K/min, 210. C @ 33. min; Tstart: 40. C
CapillaryHP-5MS977.Tzakou, Bazos, et al., 200730. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 280. C
CapillaryHP-5 MS1004.Vagionas, Graikou, et al., 200730. m/0.25 mm/0.25 «mu»m, Helium, 3. K/min; Tstart: 60. C; Tend: 280. C
CapillaryHP-51003.Figuérédo, Cabassu, et al., 200630. m/0.25 mm/0.25 «mu»m, He, 50. C @ 5. min, 5. K/min, 300. C @ 5. min
CapillaryDB-51004.Chagonda and Chalchat, 200550. m/0.3 mm/0.25 «mu»m, 2. K/min; Tstart: 60. C; Tend: 240. C
CapillaryHP-51003.Figuérédo, Cabassu, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 50. C @ 5. min, 5. K/min, 300. C @ 5. min
CapillaryHP-5MS999.Slavkovska, Couladis, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 60. C; Tend: 280. C
CapillaryDB-5997.Lopez Arze, Collin, et al., 200430. m/0.25 mm/0.25 «mu»m, 40. C @ 2. min, 2. K/min, 210. C @ 33. min
CapillaryDB-11018.Perez-Alonso, Velasco-Negueruela, et al., 200350. m/0.25 mm/0.25 «mu»m, N2, 4. K/min; Tstart: 95. C; Tend: 240. C
CapillaryDB-5996.Caredda, Marongiu, et al., 200230. m/0.25 mm/0.25 «mu»m, He, 3. K/min, 280. C @ 30. min; Tstart: 60. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-51010.Courtois, Paine, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium; Program: 50 0C m6 0C/min -> 140 0C 5 0C/min -> 160 0C (1 min) 10 0C/min -> 200 0C
Capillary5 % Phenyl methyl siloxane1020.Agabriel, Cornu, et al., 2007Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillarySupelcowax-101137.Lopez Arze, Collin, et al., 200430. m/0.25 mm/0.25 «mu»m, 40. C @ 2. min, 2. K/min, 210. C @ 33. min
CapillaryDB-Wax1172.Mölleken, Sinnwell, et al., 199830. m/0.25 mm/0.25 «mu»m, N2, 3. K/min; Tstart: 45. C; Tend: 220. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryInnowax FSC1183.Baser, Demirci, et al., 200960. m/0.25 mm/0.25 «mu»m, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C
CapillaryInnowax FSC1183.Kaya, Benirci, et al., 200760. m/0.25 mm/0.25 «mu»m, Nitrogen; Program: 60 0C (10 min) 1 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C
CapillaryInnowax FSC1183.Baser, Özek, et al., 200660. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min >220C (10min) => 1C/min => 240C
CapillaryHP-Innowax FSC1183.Kivcak, Akay, et al., 200460. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP-Innowax FSC1183.Demirci, Baser, et al., 200360. m/0.25 mm/0.25 «mu»m, He; Program: 60C (10min) => 4C/min => 220C (10min) => 1C/min => 240C
CapillaryInnowax1183.Baser, Nuriddinov, et al., 200260. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryInnowax1183.Özcan, Akgül, et al., 200160. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 200C(10min) => 1C/min => 240C

References

Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

da Silva, Zoghbi, et al., 1999
da Silva, M.H.L.; Zoghbi, M.G.B.; Andrade, E.H.A.; Maia, J.G.S., The essential oils of Peperomia pellucida Kunth and P. circinnata link var. circinnata, Flavour Fragr. J., 1999, 14, 5, 312-314, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<312::AID-FFJ835>3.0.CO;2-B . [all data]

Ceccarini, Macchia, et al., 2004
Ceccarini, L.; Macchia, M.; Flamini, G.; Cioni, P.L.; Caponi, C.; Morelli, I., Essential oil composition of Helianthus annuus L. leaves and heads of two cultivated hybride Carlos and Florom 350, Ind. Crops Prod., 2004, 19, 1, 13-17, https://doi.org/10.1016/S0926-6690(03)00076-1 . [all data]

Flamini, Cioni, et al., 2004
Flamini, G.; Cioni, P.L.; Morelli, I.; Maccioni, S.; Baldini, R., Phytochemical typologies in some populations of Myrtus communis L. on Caprione Promontory (East Liguria, Italy), Food Chem., 2004, 85, 4, 599-604, https://doi.org/10.1016/j.foodchem.2003.08.005 . [all data]

Stashenko, Jaramillo, et al., 2004
Stashenko, E.E.; Jaramillo, B.E.; Martínez, J.R., Analysis of volatile secondary metabolites from Colombian Xylopia aromatica (Lamarck) by different extraction and headspace methods and gas chromatography, J. Chromatogr. A, 2004, 1025, 1, 105-113, https://doi.org/10.1016/j.chroma.2003.10.059 . [all data]

Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Bello, A., Volatile compounds of Psidium salutare (H.B.K.) Berg. fruit, J. Agric. Food Chem., 2002, 50, 18, 5146-5148, https://doi.org/10.1021/jf0116303 . [all data]

Pino, Marbot, et al., 2001
Pino, J.A.; Marbot, R.; Vázquez, C., Characterization of volatiles in strawberry guava (Psidium cattleianum Sabine) fruit, J. Agric. Food Chem., 2001, 49, 12, 5883-5887, https://doi.org/10.1021/jf010414r . [all data]

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Cardeal, da Silva, et al., 2006
Cardeal, Z.L.; da Silva, M.D.R.G.; Marriott, P.J., Comprehensive two-dimensional gas chromatography/mass spectrometric analysis of pepper volatiles, Rapid Commun. Mass Spectrom., 2006, 20, 19, 2823-2836, https://doi.org/10.1002/rcm.2665 . [all data]

Pripdeevech, Chumpolsri, et al., 2010
Pripdeevech, P.; Chumpolsri, W.; Suttiarporn, P.; Wongpornchai, S., The chemical composition and antioxidant activities of Basil from Thailand using retention indices and comprehensive two-dimensional gas chromatography, J. Seb. Chem. Soc., 2010, 75, 11, 1503-1513, https://doi.org/10.2298/JSC100203125P . [all data]

Silva, Pott, et al., 2010
Silva, D.B.; Pott, A.; Oliveira, D.C.R., Analyses of the headspace volatile constituents of aerial parts (leaves and stems), flowers and fruits of Bidens gardneri Bak. and Bidens sulphurea (Cav.) Sch. Bip. using solid-phase microextraction, J. Essen. Oil Res., 2010, 22, 6, 560-563, https://doi.org/10.1080/10412905.2010.9700400 . [all data]

Ho, Wang, et al., 2009
Ho, C.-L.; Wang, E.I.-C.; Su, Y.-C., Essential oil compositions and bioactivities of the various parts of Cinnamomum camphora Sieb. var. linallolifera Fujuta, Journal title only in Chinese, 2009, 31, 2, 77-96. [all data]

Monser-Esfahani, Karamkhani, et al., 2007
Monser-Esfahani, H.R.; Karamkhani, F.; Nickavar, B.; Abdi, K.; Faramarzi, M.A., The Volatile Constituents of Dracocephalum kotschyi Oils, Chem. Nat. Comp., 2007, 43, 1, 40-43, https://doi.org/10.1007/s10600-007-0027-z . [all data]

Sylvestre, Longtin, et al., 2007
Sylvestre, M.; Longtin, A.P.A.; Legault, J., Volatile leaf condtituents and anticancer activity of Bursera simaruba (L.) Sarg. essential oil, Natural Product Communications, 2007, 2, 12, 1273-1276. [all data]

Tzakou, Bazos, et al., 2007
Tzakou, O.; Bazos, I.; Yannitsaros, A., Volatile metabolites of Pistacia atlantica Desf. from Greece, Flavour Fragr. J., 2007, 22, 5, 358-362, https://doi.org/10.1002/ffj.1805 . [all data]

Vagionas, Graikou, et al., 2007
Vagionas, K.; Graikou, K.; Ngassapa, O.; Runyoro, D.; Chinou, I., Composition and antimicrobial activity of the essential oils of three Satureja species growing in Tansania, Food Chem., 2007, 103, 2, 319-324, https://doi.org/10.1016/j.foodchem.2006.07.051 . [all data]

Figuérédo, Cabassu, et al., 2006
Figuérédo, G.; Cabassu, P.; Chalchat, J.-C.; Pasquier, B., Studies of Mediterranean oregano populations. VIII. Chemical composition of essential oils of oreganos of various origins, Flavour Fragr. J., 2006, 21, 1, 134-139, https://doi.org/10.1002/ffj.1543 . [all data]

Chagonda and Chalchat, 2005
Chagonda, L.S.; Chalchat, J.-C., The essential oil of wild and cultivated Hoslundia opposita Vahl. from Zimbabwe, Flavour Fragr. J., 2005, 20, 2, 193-195, https://doi.org/10.1002/ffj.1402 . [all data]

Figuérédo, Cabassu, et al., 2005
Figuérédo, G.; Cabassu, P.; Chalchat, J.-C.; Pasquier, B., Studies of Mediterranean oregano populations- V. Chemical composition of essential oils of oregano: Origanum syriacum L. var. bevanii (Holmes) Ietswaart, O. syriacum L. var. sinaicum (Boiss.) Ietswaart, and O. syriacum L. var. syriacum from Lebanon and Israel, Flavour Fragr. J., 2005, 20, 164-168. [all data]

Slavkovska, Couladis, et al., 2005
Slavkovska, V.; Couladis, M.; Bojovic, S.; Tzakou, O.; Pavlovic, M.; Lakusic, B.; Jancic, R., Essential oil and its systematic significance in species of Micromeria Bentham from Serbia Montenegro, Plant Systematics and Evolution, 2005, 255, 1-2, 1-15, https://doi.org/10.1007/s00606-005-0303-y . [all data]

Lopez Arze, Collin, et al., 2004
Lopez Arze, J.B.; Collin, G.; Garneau, F.-X.; Jean, F.-I.; Gagnon, H., Essential oils from Bolivia. II. Asteraceae: Ophryosporus heptanthus (Wedd.) H. Rob. et King, J. Essent. Oil Res., 2004, 16, 4, 374-376, https://doi.org/10.1080/10412905.2004.9698747 . [all data]

Perez-Alonso, Velasco-Negueruela, et al., 2003
Perez-Alonso, M.J.; Velasco-Negueruela, A.; Palá-Paúl, J.; Sanz, J., Variations in the essential oil composition of Artemisia pedemontana gathered in Spain: chemotype camphor-1,8-cineole and chemotype davanone, Biochem. Syst. Ecol., 2003, 31, 1, 77-84, https://doi.org/10.1016/S0305-1978(02)00082-0 . [all data]

Caredda, Marongiu, et al., 2002
Caredda, A.; Marongiu, B.; Porcedda, S.; Soro, C., Supercritical carbon dioxide extraction and characterization of Laurus nobilis essential oil, J. Agric. Food Chem., 2002, 50, 6, 1492-1496, https://doi.org/10.1021/jf0108563 . [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]

Agabriel, Cornu, et al., 2007
Agabriel, C.; Cornu, A.; Journal, C.; Sibra, C.; Groller, C.; MArtin, B., Tanker milk variability according to farm feeding practices: vitamins A and E, carotenoids, color, and terpenoids, J. Dairy Sci., 2007, 90, 10, 4884-4896, https://doi.org/10.3168/jds.2007-0171 . [all data]

Mölleken, Sinnwell, et al., 1998
Mölleken, U.; Sinnwell, V.; Kubeczka, K.-H., Essential oil composition of Smyrnium olusatrum, Phytochemistry, 1998, 49, 6, 1709-1714, https://doi.org/10.1016/S0031-9422(98)00195-2 . [all data]

Baser, Demirci, et al., 2009
Baser, K.H.C.; Demirci, B.; Kurkcuoglu, M.; Satin, F.; Tumen, G., Comparative morphological and phytochemical charactertization of Salvia cadmica and S. smyrnaea, Pak. J. Bot., 2009, 41, 4, 1545-1555. [all data]

Kaya, Benirci, et al., 2007
Kaya, A.; Benirci, B.; Baser, K.H.C., Micromorphology of glandular trichomes of Nepeta congesta Fisch. Mey. var. congesta (LAmiaceae) and chemical analysis of the essential oils, South African J. Botany, 2007, 73, 1, 29-34, https://doi.org/10.1016/j.sajb.2006.05.004 . [all data]

Baser, Özek, et al., 2006
Baser, K.H.C.; Özek, G.; Özek, T.; Duran, A.; Duman, H., Composition of the essential oils of Rhabdosciadium oligocarpum (Post ex Boiss.) Hedge et Lamond and Rhabdosciadium microcalycinum Hand.-Mazz., Flavour Fragr. J., 2006, 21, 4, 650-655, https://doi.org/10.1002/ffj.1639 . [all data]

Kivcak, Akay, et al., 2004
Kivcak, B.; Akay, S.; Demirci, B.; Baser, K.H.C., Chemical composition of essential oils from leaves and twigs of Pistacia lentiscus, Pistacia lentiscus var. chia, and Pistacia terebinthus from Turkey, Pharm. Biol, 2004, 42, 4-5, 360-366, https://doi.org/10.1080/13880200490519677 . [all data]

Demirci, Baser, et al., 2003
Demirci, B.; Baser, K.H.C.; Yildiz, B.; Bahcecioglu, Z., Composition of the essential oils of six endemic Salvia spp. from Turkey, Flavour Fragr. J., 2003, 18, 2, 116-121, https://doi.org/10.1002/ffj.1173 . [all data]

Baser, Nuriddinov, et al., 2002
Baser, K.H.C.; Nuriddinov, H.R.; Ozek, T.; Demirci, A.B.; Azcan, N.; Nigmatullaev, A.M., Essential oil of Arischrada korolkowii from the Chatkal mountains of Uzbekistan, Chem. Nat. Compd. (Engl. Transl.), 2002, 38, 1, 51-53, https://doi.org/10.1023/A:1015729731464 . [all data]

Özcan, Akgül, et al., 2001
Özcan, M.; Akgül, A.; Bascr, K.H.C.; Özck, T.; Tabanca, N., Essential oil composition of sea fennel (Crithmum maritimum) form Turkey, Nahrung/Food, 2001, 45, 5, 353-356, https://doi.org/10.1002/1521-3803(20011001)45:5<353::AID-FOOD353>3.0.CO;2-4 . [all data]


Notes

Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References