2,4-Di-tert-butylphenol

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Gas phase thermochemistry data

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

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-69.4kcal/molCcbBertholon, Giray, et al., 1971 

Reaction thermochemistry data

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

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

Phenol, 2,4,6-tri-tert-butyl- + Phenol, 2-(1,1-dimethylethyl)- = Phenol, 2,6-bis(1,1-dimethylethyl)- + 2,4-Di-tert-butylphenol

By formula: C18H30O + C10H14O = C14H22O + C14H22O

Quantity Value Units Method Reference Comment
Δr0.03 ± 0.11kcal/molEqkPil'shchikov, Nesterova, et al., 1981liquid phase

Phenol + 2,4-Di-tert-butylphenol = Phenol, 2-(1,1-dimethylethyl)- + Phenol, p-tert-butyl-

By formula: C6H6O + C14H22O = C10H14O + C10H14O

Quantity Value Units Method Reference Comment
Δr-0.0 ± 0.9kcal/molEqkPil'shchikov, Nesterova, et al., 1981liquid phase

Phenol, 2,4,6-tri-tert-butyl- + Phenol, p-tert-butyl- = 22,4-Di-tert-butylphenol

By formula: C18H30O + C10H14O = 2C14H22O

Quantity Value Units Method Reference Comment
Δr-2.96 ± 0.47kcal/molEqkPil'shchikov, Nesterova, et al., 1981liquid phase

Gas Chromatography

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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, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedSE-30250.1519.Verevkin, Nesterov, et al., 1990He, NAWHMDS; Column length: 3. m

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

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Column type Active phase I Reference Comment
CapillaryHP-5MS1513.Zhao C.X., Li, et al., 200630. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 80. C; Tend: 300. C
CapillaryDB-51512.Nogueira, Bittrich, et al., 200130. m/0.25 mm/0.25 μm, H2, 3. K/min; Tstart: 60. C; Tend: 240. C
PackedSE-301539.Staniewski, 1991GasChrom Q, 4. K/min; Column length: 2. m; Tstart: 80. C; Tend: 250. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryCP-Wax 52CB2280.Mahadevan and Farmer, 200660. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm
CapillaryStabilwax2327.Cros, Lignot, et al., 200560. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min, 240. C @ 10. min
CapillaryStabilwax2327.Cros, Vandanjon, et al., 200360. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min, 240. C @ 10. min
CapillarySupelcowax-102316.Chung, Yung, et al., 200260. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
CapillarySupelcowax-102316.Chung, Yung, et al., 200160. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
CapillarySupelcowax-102317.Chung, 199960. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
CapillaryDB-Wax2321.Shiratsuchi, Shimoda, et al., 199460. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5 MS1518.Xu, Han, et al., 201230. m/0.25 mm/0.25 μm, 60. C @ 2. min, 15. K/min, 300. C @ 10. min
CapillaryHP-5 MS1521.Xu, Han, et al., 201230. m/0.25 mm/0.25 μm, 60. C @ 2. min, 15. K/min, 300. C @ 10. min
CapillaryHP-5 MS1525.Jerkovic, Hegic, et al., 201030. m/0.25 mm/0.25 μm, Helium, 70. C @ 2. min, 3. K/min, 200. C @ 18. min
CapillaryHP-51519.Monsef-Esfahani, Miri, et al., 201030. m/0.25 mm/0.25 μm, Helium, 50. C @ 5. min, 3. K/min; Tend: 240. C
CapillaryHP-5 MS1518.Xu, Han, et al., 200930. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 15. K/min, 300. C @ 10. min
CapillaryHP-5 MS1521.Xu, Han, et al., 200930. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 15. K/min, 300. C @ 10. min
CapillaryPetrocol DH1494.Sojak, Kubinec, et al., 2006150. m/0.25 mm/1.0 μm, 1. K/min; Tstart: 40. C; Tend: 300. C

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

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Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane with 5 % Ph groups1511.Robinson, Adams, et al., 2012Program: not specified
CapillaryPolydimethyl siloxane with 5 % Ph groups1513.Robinson, Adams, et al., 2012Program: not specified
Capillary 1553.Plaza, Santoyo, et al., 2010Program: not specified
CapillaryDB-51502.Yu and Zhang, 201030. m/0.25 mm/0.25 μm; Program: 40 0C (5 min) 5 0C/min -> 260 0C 15 0C/min -> 280 0C (1 min)
CapillaryRTX-5 MS1519.Mebazaa, Mahmoudi, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (5 min) 2 0C/min -> 100 0C (5 min) 5 0C/min -> 300 0C
CapillaryHP-51509.Zhao, Li, et al., 200830. m/0.25 mm/0.25 μm; Program: 40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min)
CapillaryHP-51519.Zhao, Li, et al., 200830. m/0.25 mm/0.25 μm; Program: not specified
CapillaryHP-5MS1519.Ansorena, Gimeno, et al., 200130. m/0.25 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min)
CapillaryCP-Sil5 CB MS1502.Tirillini, Verdelli, et al., 200050. m/0.32 mm/0.4 μm; Program: 0C (3min) => 3C/min => 50C => 5C/min => 220C (30min)

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryFFAP2294.Piyachaiseth, Jirapakkul, et al., 201160. m/0.25 mm/0.25 μm, Helium, 45. C @ 1. min, 5. K/min, 220. C @ 5. min
CapillaryRTX-Wax2270.Prososki, Etzel, et al., 200730. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 10. K/min, 220. C @ 10. min
CapillaryStabilwax2327.Cros, Vandanjon, et al., 2003, 260. m/0.25 mm/0.25 μm, Helium, 40. C @ 5. min, 3. K/min, 240. C @ 10. min

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M2318.Lee, Chong, et al., 2012Program: not specified
CapillaryDB-FFAP2312.Mebazaa, Mahmoudi, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: 50 0C 2 0C/min -> 100 0C (5 min) 5 0C/min -> 250 0C
CapillaryDB-Wax2330.Li, Tao, et al., 200830. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (3 min) 4 0C/min -> 160 0C 7 0C/min -> 220 0C (8 min)
CapillaryDB-Wax2330.Yongsheng, Hua, et al., 200830. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (4 min) 3 0C/min -> 50 0C 5 0C/min -> 120 0C 7 0C/min -> 175 0C 10 0C/min -> 230 0C (8 min)
CapillaryDB-Wax2330.Li, Tao, et al., 200730. m/0.32 mm/0.25 μm, He; Program: 40C(3min) => 4C/min => 160C => 7C/min => 230C (8min)
CapillaryDB-Wax2277.Selli, 200730. m/0.32 mm/0.50 μm, Hydrogen; Program: 60 0C (3 min) 2 0C/min -> 220 0C 3 0C/min -> 245 0C (20 min)
CapillaryHP-Innowax2315.Viegas and Bassoli, 200760. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (5 min) 4 0C/min -> 60 0C (5 min) 8 0C/min -> 250 0C (3 min)
CapillaryHP-Innowax2321.Viegas and Bassoli, 200760. m/0.32 mm/0.25 μm, Helium; Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas Chromatography, Notes

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

Bertholon, Giray, et al., 1971
Bertholon, G.; Giray, M.; Perrin, R.; Vincent-Falquet-Berny, M.F., No. 532. - Etude physicochimique des phenols. OX. - Ethanlpies de combustion et energies de resonance des alcoyl et aryphenols, Bull. Soc. Chim. France, 1971, 3180-3187. [all data]

Pil'shchikov, Nesterova, et al., 1981
Pil'shchikov, V.A.; Nesterova, T.N.; Rozhnov, A.M., Equilibrium in the system phenol-tert-butylphenols, J. Appl. Chem. USSR, 1981, 54, 1765-1769. [all data]

Verevkin, Nesterov, et al., 1990
Verevkin, S.P.; Nesterov, O.A.; Rempel, P.D.; Synkova, N.V.; Shashkin, N.P., Chromatographic determination of the products of condensation of alkylphenols with formic aldehyde, Zh. Anal. Khim., 1990, 43, 760-761. [all data]

Zhao C.X., Li, et al., 2006
Zhao C.X.; Li, X.N.; Liang Y.Z.; Fang H.Z.; Huang L.F.; Guo F.Q., Comparative analysis of chemical components of essential oils from different samples of Rhododendron with the help of chemometrics methods, Chemom. Intell. Lab. Syst., 2006, 82, 1-2, 218-228, https://doi.org/10.1016/j.chemolab.2005.08.008 . [all data]

Nogueira, Bittrich, et al., 2001
Nogueira, P.C.L.; Bittrich, V.; Shepherd, G.J.; Lopes, A.V.; Marsaioli, A.J., The ecological and taxonomic importance of flower volatiles of Clusia species (Guttiferae), Phytochemistry, 2001, 56, 5, 443-452, https://doi.org/10.1016/S0031-9422(00)00213-2 . [all data]

Staniewski, 1991
Staniewski, J., Gas chromatographic analysis of some hydroxyoxime extractants of metals, Chem. Anal. (Warsaw), 1991, 36, 2, 325-333. [all data]

Mahadevan and Farmer, 2006
Mahadevan, K.; Farmer, L., Key Odor Impact Compounds in Three Yeast Extract Pastes, J. Agric. Food Chem., 2006, 54, 19, 7242-7250, https://doi.org/10.1021/jf061102x . [all data]

Cros, Lignot, et al., 2005
Cros, S.; Lignot, B.; Bourseau, P.; Jaouen, P.; Prost, C., Desalination of mussel cooking juices by electrodialysis: effect on the aroma profile, J. Food Eng., 2005, 69, 4, 425-436, https://doi.org/10.1016/j.jfoodeng.2004.08.036 . [all data]

Cros, Vandanjon, et al., 2003
Cros, S.; Vandanjon, L.; Jaouen, P.; Bourseau, P., Processing of industrial mussel cooking juices by reverse osmosis: pollution abatement and aromas recovery, 2003, retrieved from http://www.membrane.unsw.edu.au/imstec03/content/papers/DAI/imstec064.pdf. [all data]

Chung, Yung, et al., 2002
Chung, H.-Y.; Yung, I.K.S.; Ma, W.C.J.; Kim, J.-S., Analysis of volatile components in frozen and dried scallops (Patinopecten yessoensis) by gas chromatography/mass spectrometry, Food Res. Int., 2002, 35, 1, 43-53, https://doi.org/10.1016/S0963-9969(01)00107-7 . [all data]

Chung, Yung, et al., 2001
Chung, H.Y.; Yung, I.K.S.; Kim, J.-S., Comparison of volatile components in dried scallops (Chlamys farreri and Patinopecten yessoensis) prepared by boiling and steaming methods, J. Agric. Food Chem., 2001, 49, 1, 192-202, https://doi.org/10.1021/jf000692a . [all data]

Chung, 1999
Chung, H.Y., Volatile components in crabmeats of Charybdis feriatus, J. Agric. Food Chem., 1999, 47, 6, 2280-2287, https://doi.org/10.1021/jf981027t . [all data]

Shiratsuchi, Shimoda, et al., 1994
Shiratsuchi, H.; Shimoda, M.; Imayoshi, K.; Noda, K.; Osajima, Y., Volatile flavor compounds in spray-dried skim milk powder, J. Agric. Food Chem., 1994, 42, 4, 984-988, https://doi.org/10.1021/jf00040a028 . [all data]

Xu, Han, et al., 2012
Xu, L.-L.; Han, T.; Wu, J.-Z.; Zhang, Q.-Y.; Zhang, H.; Huang, B.-K.; Rahman, K., Comparative research of chemical constituents, antifungal and antitumor properties of ether extracts of Panax ginseng and its endophytic fungus, 2012, retrieved from http://www.thefreelibrary.com/Comparative .... [all data]

Jerkovic, Hegic, et al., 2010
Jerkovic, I.; Hegic, G.; Marijanovic, Z.; Bubalo, D., Organic extractives from Mentha spp. honey and the bee-stomach: methyl syringate, vomifoliol, terpenediol I, hotrienol, and other compounds, Molecules, 2010, 15, 4, 2911-2924, https://doi.org/10.3390/molecules15042911 . [all data]

Monsef-Esfahani, Miri, et al., 2010
Monsef-Esfahani, H.R.; Miri, A.; Amini, M.; Amanzadeh, Y.; Hadjiakhoondi, A.; Hajiaghaee, R.; Ajani, Y., Seasonal variations in the chemical composition, antioxidant activity and total phenolic content of Teucrium persicum Boiss. essential oils, Res. J. Biol. Sci., 2010, 5, 7, 492-498, https://doi.org/10.3923/rjbsci.2010.492.498 . [all data]

Xu, Han, et al., 2009
Xu, L.-L.; Han, T.; Wu, J.-Z.; Zhang, Q.-Y.; Zhang, H.; Huang, B.-K.; Rahman, K., Comparative research of chemical constituents, antifungal and antitumor properties of ether extracts of Panax ginseng and its endophytic fungus, Phytomedicine: Int. J. Phytotherapy Phytopharmacology, 2009, 16, 6-7, 609-616, https://doi.org/10.1016/j.phymed.2009.03.014 . [all data]

Sojak, Kubinec, et al., 2006
Sojak, L.; Kubinec, R.; Jurdakova, H.; Hajekova, E.; Bajus, M., GC-MS of polyethylene and polypropylene thermal cracking produxts, Petroleum Coal, 2006, 48, 1, 1-14. [all data]

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]

Plaza, Santoyo, et al., 2010
Plaza, M.; Santoyo, S.; Jaime, L.; Garcia-Blairsy Reyna, G.; Herrero, M.; Senorans, F.J.; Ibanez, E., Screening for bioactive compouinds from algae, J. Pharmaceutical Biomedical Analysis, 2010, 51, 2, 450-455, https://doi.org/10.1016/j.jpba.2009.03.016 . [all data]

Yu and Zhang, 2010
Yu, A.-N.; Zhang, A.-D., The effect of pH on the total formation of aroma compounds produced by hearting a model system containing L-ascorbic acid with L-threonine/L-serine, Food Chem., 2010, 119, 1, 214-219, https://doi.org/10.1016/j.foodchem.2009.06.026 . [all data]

Mebazaa, Mahmoudi, et al., 2009
Mebazaa, R.; Mahmoudi, A.; Fouchet, M.; Dos Santos, M.; Kamissoko, F.; Nafti, A.; Ben Cheikh, R.; Rega, B.; Camel, V., Characterization of volatile compounds in Tunisian fenugreek seeds, Food Chem., 2009, 115, 4, 1326-1336, https://doi.org/10.1016/j.foodchem.2009.01.066 . [all data]

Zhao, Li, et al., 2008
Zhao, Y.; Li, J.; Xu, Y.; Duan, H.; Fan, W.; Zhao, G., EXtraction, preparation and identification of volatile compounds in Changyu XO brandy, Chinese J. Chromatogr., 2008, 26, 2, 212-222, https://doi.org/10.1016/S1872-2059(08)60014-0 . [all data]

Ansorena, Gimeno, et al., 2001
Ansorena, D.; Gimeno, O.; Astiasarán, I.; Bello, J., Analysis of volatile compounds by GC-MS of a dry fermented sausage: chorizo de Pamplona, Food Res. Int., 2001, 34, 1, 67-75, https://doi.org/10.1016/S0963-9969(00)00133-2 . [all data]

Tirillini, Verdelli, et al., 2000
Tirillini, B.; Verdelli, G.; Paolocci, F.; Ciccioli, P.; Frattoni, M., The volatile organic compounds from the mycelium of Tuber borchii Vitt., Phytochemistry, 2000, 55, 8, 983-985, https://doi.org/10.1016/S0031-9422(00)00308-3 . [all data]

Piyachaiseth, Jirapakkul, et al., 2011
Piyachaiseth, T.; Jirapakkul, W.; Chaiseri, S., Aroma compounds of flash-fried rice, Kasetsart J. (Nat. Sci.), 2011, 45, 717-729. [all data]

Prososki, Etzel, et al., 2007
Prososki, R.A.; Etzel, M.R.; Rankin, S.A., Solvent type affects the number, distribution, and relative quantities of volatile compounds found in sweet whey powder, J. Dairy Sci., 2007, 90, 2, 523-531, https://doi.org/10.3168/jds.S0022-0302(07)71535-7 . [all data]

Cros, Vandanjon, et al., 2003, 2
Cros, S.; Vandanjon, L.; Jaouen, P.; Bourseau, P., IMSTEC'03 Conference Proceedings, Processing of industrial mussel cooking juices by reverse osmosis: pollution abatement and aromas recovery, Universoty of New South Wales, Sydney, Australia, 2003, 6. [all data]

Lee, Chong, et al., 2012
Lee, P.-R.; Chong, I.S.-M.; Yu, B.; Curran, P.; Liu, S.-Q., Effect of precursors on volatile compounds in Papaya wine fermented by mixed yeasts, Uncorrected proof, 2012, 000-000. [all data]

Li, Tao, et al., 2008
Li, H.; Tao, Y.-S.; Wang, H.; Zhang, L., Impact odorants of Chardonnay dry white wine from Changli Counti (China), Eur. Food. Res. Technol., 2008, 227, 1, 287-292, https://doi.org/10.1007/s00217-007-0722-9 . [all data]

Yongsheng, Hua, et al., 2008
Yongsheng, T.; Hua, L.; Hua, W.; Li, Z., Volatile composition of young Cabernet Savignon red wine from Changli Counti (China), J. Food Composition and Analysis, 2008, 21, 8, 689-694, https://doi.org/10.1016/j.jfca.2008.05.007 . [all data]

Li, Tao, et al., 2007
Li, H.; Tao, Y.-S.; Wang, H.; Zhang, L., Impact odorants of Chardonnay dry white wine from Changli County (China), Eur. Food Res. Technol., 2007, https://doi.org/10.1007/s00217-007-0722-9 . [all data]

Selli, 2007
Selli, S., Volatile constituents of orange obtained from moro oranges (Citrus Sinensis L. Osbeck), J. Food Quality, 2007, 30, 3, 330-341, https://doi.org/10.1111/j.1745-4557.2007.00124.x . [all data]

Viegas and Bassoli, 2007
Viegas, M.C.; Bassoli, D.G., Utilizacao do indice de retencao linear para caracterizacao de compostos volateis em cafe soluvel utilizando GC-MS e coluna HP-Innowax, Quim. Nova, 2007, 30, 8, 2031-2034, https://doi.org/10.1590/S0100-40422007000800040 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas Chromatography, References