Benzyl alcohol

• Formula: C₇H₈O
• Molecular weight: 108.1378
• IUPAC Standard InChI: InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2 Copy

  
• IUPAC Standard InChIKey: WVDDGKGOMKODPV-UHFFFAOYSA-N Copy
• CAS Registry Number: 100-51-6
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Benzenemethanol; α-Hydroxytoluene; α-Toluenol; (Hydroxymethyl)benzene; Benzenecarbinol; Phenylcarbinol; Phenylmethanol; Phenylmethyl alcohol; Methanol, phenyl-; NCI-C06111; Hydroxytoluene; Bentalol; Benzoyl alcohol; Benzenmethanol; Benzylic alcohol; Methanol benzene; NSC 8044; Benzyl Alkohol
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• Information on this page:
  • Henry's Law data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Ion clustering data
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

k_H(T) = k°_H exp(d(ln(k_H))/d(1/T) ((1/T) - 1/(298.15 K)))
k°_H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(k_H))/d(1/T) = Temperature dependence constant (K)

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• SOLUTION (CS2 FOR 2-6.2 AND 7.3-15 microns, AND C2Cl4 FOR 6.2-7.3 microns); PERKIN-ELMER 21 (GRATING); DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm^-1 resolution

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

• gas; HP-GC/MS/IRD

Mass spectrum (electron ionization)

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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

Spectrum

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Additional Data

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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Kovats' RI, non-polar column, temperature ramp

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Kovats' RI, non-polar column, custom temperature program

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Kovats' RI, polar column, isothermal

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Kovats' RI, polar column, temperature ramp

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Kovats' RI, polar column, custom temperature program

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

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

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

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

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Normal alkane RI, non-polar column, temperature ramp

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

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Normal alkane RI, polar column, temperature ramp

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Normal alkane RI, polar column, custom temperature program

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Lee's RI, non-polar column, temperature ramp

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References

Go To: Top, Henry's Law data, 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.

Kuhn, 2001
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Tudor and Moldovan, 1999
Tudor, E.; Moldovan, D., Temperature Dependence of the Retention Index for Perfumery Compounds on a Se-30 Glass Capillary Column. II. The Hyperbolic Equation, J. Chromatogr., 1999, 848, 1-2, 215-227, https://doi.org/10.1016/S0021-9673(99)00412-4 . [all data]

Tudor, 1997
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Korhonen, I.O.O., Gas-Liquid Chromatographic Analyses. XLVIII. Benzyl, (±)-1-Phenylethyl and 2-Phenylethyl Alcohols and the Corresponding Esters of Benzoic Acid and Its 2-, 3- and 4-Chloro, Pentafluoro, 4-Nitro and 3,5-Dinitro Derivatives on SE-30 and OV-351 Capillary Columns, J. Chromatogr., 1986, 363, 277-292. [all data]

Tiess, 1984
Tiess, D., Gaschromatographische Retentionsindices von 125 leicht- bis mittelflüchtigen organischen Substanzen toxikologisch-analytischer Relevanz auf SE-30, Wiss. Z. Wilhelm-Pieck-Univ. Rostock Math. Naturwiss. Reihe, 1984, 33, 6-9. [all data]

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Yamaguchi, K.; Shibamoto, T., Volatile constituents of green tea, Gyokuro (Camellia sinensis L. var Yabukita), J. Agric. Food Chem., 1981, 29, 2, 366-370, https://doi.org/10.1021/jf00104a035 . [all data]

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Borse, Jagan Mohan Rao, et al., 2002
Borse, B.B.; Jagan Mohan Rao, L.; Nagalakshmi, S.; Krishnamurthy, N., Fingerprint of black teas from India: identification of the regio-specific characteristics, Food Chem., 2002, 79, 4, 419-424, https://doi.org/10.1016/S0308-8146(02)00191-7 . [all data]

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Ramsey, Lee, et al., 1980
Ramsey, J.D.; Lee, T.D.; Osselton, M.D.; Moffat, A.C., Gas-liquid chromatographic retention indices of 296 non-drug substances on SE-30 or OV-1 likely to be encountered in toxicological analyses, J. Chromatogr., 1980, 184, 2, 185-206, https://doi.org/10.1016/S0021-9673(00)85641-1 . [all data]

Tudor, Moldovan, et al., 1999
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Wong and Teng, 1994
Wong, K.C.; Teng, Y.E., Volatile Components of Mimusops elengi L. Flowers, J. Essent. Oil Res., 1994, 6, 5, 453-458, https://doi.org/10.1080/10412905.1994.9698425 . [all data]

Tatsuka, Suekane, et al., 1990
Tatsuka, K.; Suekane, S.; Sakai, Y.; Sumitani, H., Volatile constituents of kiwi fruit flowers: simultaneous distillation and extraction versus headspace sampling, J. Agric. Food Chem., 1990, 38, 12, 2176-2180, https://doi.org/10.1021/jf00102a015 . [all data]

Nishimura, Yamaguchi, et al., 1989
Nishimura, O.; Yamaguchi, K.; Mihara, S.; Shibamoto, T., Volatile Constituents of Guava Fruits (Psidium guajava L.) and Canned Puree, J. Agric. Food Chem., 1989, 37, 1, 139-142, https://doi.org/10.1021/jf00085a033 . [all data]

Gaydou, Randriamiharisoa, et al., 1986
Gaydou, E.M.; Randriamiharisoa, R.; Bianchini, J.-P., Composition of the essential oil of ylang-ylang (Canaga odorata Hook Fil. et Thomson forma genuina) from Madagascar, J. Agric. Food Chem., 1986, 34, 3, 481-487, https://doi.org/10.1021/jf00069a028 . [all data]

MacLeod and Pieris, 1983
MacLeod, A.J.; Pieris, N.M., Volatile components of papaya (Carica papaya L.) with particular reference to glucosinolate products, J. Agric. Food Chem., 1983, 31, 5, 1005-1008, https://doi.org/10.1021/jf00119a021 . [all data]

Toda, Mihara, et al., 1983
Toda, H.; Mihara, S.; Umano, K.; Shibamoto, T., Photochemical studies on jasmin oil, J. Agric. Food Chem., 1983, 31, 3, 554-558, https://doi.org/10.1021/jf00117a022 . [all data]

Buttery, Kamm, et al., 1982
Buttery, R.G.; Kamm, J.A.; Ling, L.C., Volatile components of alfalfa flowers and pods, J. Agric. Food Chem., 1982, 30, 4, 739-742, https://doi.org/10.1021/jf00112a028 . [all data]

Brander, Kepner, et al., 1980
Brander, C.F.; Kepner, R.E.; Webb, A.D., Identification of Some Volatile Compounds of Wine of Vitis Vinifera Cultivar Pinot Noir, Am. J. Enol. Vitic, 1980, 31, 1, 69-75. [all data]

Engel and Ratel, 2007
Engel, E.; Ratel, J., Correction of the data generated by mass spectrometry analyses of biological tissues: Application to food authentication, J. Chromatogr. A, 2007, 1154, 1-2, 331-341, https://doi.org/10.1016/j.chroma.2007.02.012 . [all data]

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Zeng, Zhao, et al., 2007
Zeng, Y.-X.; Zhao, C.-X.; Liang, Y.-Z.; Yang, H.; Fang, H.-Z.; Yi, L.-Z.; Zeng, Z.-D., Comparative analysis of volatile components from Clematis species growing in China, Anal. Chim. Acta., 2007, 595, 1-2, 328-339, https://doi.org/10.1016/j.aca.2006.12.022 . [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]

Osorio, Alarcon, et al., 2006
Osorio, C.; Alarcon, M.; Moreno, C.; Bonilla, A.; Barrios, J.; Garzon, C.; Duque, C., Characterization of Odor-Active Volatiles in Champa ( Campomanesia lineatifolia R. P.), J. Agric. Food Chem., 2006, 54, 2, 509-516, https://doi.org/10.1021/jf052098c . [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]

Zhao, Wang X.Y., et al., 2006
Zhao, Y.P.; Wang X.Y.; Wang, Z.C.; Lu Y.; Fu, C.X.; Chen, S.Y., Essential oil of Actinidia macrosperma, a catnip response kiwi endemic to China, Journal of Zhejiang University SCIENCE B, 2006, 7, 9, 708-712, https://doi.org/10.1631/jzus.2006.B0708 . [all data]

Alves, Pinto, et al., 2005
Alves, R.J.V.; Pinto, A.C.; da Costa, A.V.M.; Rezende, C.M., Zizyphus mauritiana Lam. (Rhamnaceae) and the chemical composition of its floral fecal odor, J. Braz. Chem. Soc., 2005, 16, 3B, 654-656, https://doi.org/10.1590/S0103-50532005000400027 . [all data]

bin Jantan, Yalvema, et al., 2005
bin Jantan, I.; Yalvema, M.F.; Ahmad, N.W.; Jamal, J.A., Insecticidal activities of the leaf oils of eight Cinnamomum species against Aedes aegypti and Aedes albopictus, Pharm. Biol., 2005, 43, 6, 526-532, https://doi.org/10.1080/13880200500220771 . [all data]

Pino, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R., Volatile components from mango (Mangifera indica L.) cultivars, J. Agric. Food Chem., 2005, 53, 6, 2213-2223, https://doi.org/10.1021/jf0402633 . [all data]

Zhao, Liang, et al., 2005
Zhao, C.-X.; Liang, Y.-Z.; Fang, H.-Z.; Li, X.-N., Temperature-programmed retention indices for gas chromatography-mass spectroscopy analysis of plant essential oils, J. Chromatogr. A, 2005, 1096, 1-2, 76-85, https://doi.org/10.1016/j.chroma.2005.09.067 . [all data]

Dickschat, Wenzel, et al., 2004
Dickschat, J.S.; Wenzel, S.C.; Bode, H.B.; Muller, R.; Schulz, S., Biosynthesis of Volatiles by the Myxobacterium Myxococcus xanthus, ChemBioChem, 2004, 5, 6, 778-787, https://doi.org/10.1002/cbic.200300813 . [all data]

Píno, Marbot, et al., 2004
Píno, J.A.; Marbot, R.; Vázquez, C., Volatile components of the fruits of Vangueria madagascariensis J. F. Gmel. from Cuba, J. Essent. Oil Res., 2004, 16, 4, 302-304, https://doi.org/10.1080/10412905.2004.9698727 . [all data]

Pino, Marbot, et al., 2004
Pino, J.A.; Marbot, R.; Vazquez, C., Volatile components of tamarind (Tamarindus indica L.) grown in Cuba, J. Essent. Oil Res., 2004, 16, 4, 318-320, https://doi.org/10.1080/10412905.2004.9698731 . [all data]

Pino, Marbot, et al., 2004, 2
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C., Volatile constituents of Malay rose apple [Syzygium malaccense (L.) Merr. Perry], Flavour Fragr. J., 2004, 19, 1, 32-35, https://doi.org/10.1002/ffj.1269 . [all data]

Raina, Kumar, et al., 2004
Raina, V.K.; Kumar, A.; Srivastava, S.K.; Syamsundar, K.V.; Kahol, A.P., Essential oil composition of 'kewda' (Pandanus odoratissimus) from India, Flavour Fragr. J., 2004, 19, 5, 434-436, https://doi.org/10.1002/ffj.1331 . [all data]

Reis, Pansarim, et al., 2004
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Siegmund and Murkovic, 2004
Siegmund, B.; Murkovic, M., Changes in chemical composition of pumpkin seeds during the roasting process for production of pumpkin seed oil (Part 2: volatile compounds), Food Chem., 2004, 84, 3, 367-374, https://doi.org/10.1016/S0308-8146(03)00241-3 . [all data]

Singer, Flach, et al., 2004
Singer, R.B.; Flach, A.; Koehler, S.; Marsaioli, A.J.; Amaral, M.C.E., Sexual Mimicry in Mormolyca ringens (Lindl.) Schltr. (Orchidaceae: Maxillariinae), Ann. Bot. Rome, 2004, 93, 6, 755-762, https://doi.org/10.1093/aob/mch091 . [all data]

Cavalli, Fernandez, et al., 2003
Cavalli, J.-F.; Fernandez, X.; Lizzani-Cuvelier, L.; Loiseau, A.-M., Comparison of static headspace, headspace solid phase microextraction, headspace sorptive extraction, and direct thermal desorption techniques on chemical composition of French olive oils, J. Agric. Food Chem., 2003, 51, 26, 7709-7716, https://doi.org/10.1021/jf034834n . [all data]

Isidorov and Vinogorova, 2003
Isidorov, V.A.; Vinogorova, V.T., GC-MS analysis of compounds extracted from buds of Populus balsamifera and Populus nigra, Z. Naturforsch. C:, 2003, 58, 355-360. [all data]

Lalel, Singh, et al., 2003
Lalel, H.J.D.; Singh, Z.; Chye Tan, S., Glycosidically-bound aroma volatile compounds in the skin and pulp of 'Kensington Pride' mango fruit at different stages of maturity, Postharvest Biol. Technol., 2003, 29, 2, 205-218, https://doi.org/10.1016/S0925-5214(02)00250-8 . [all data]

Pino, Almora, et al., 2003
Pino, J.; Almora, K.; Marbot, R., Volatile components of papaya (Carica papaya L., maradol variety) fruit, Flavour Fragr. J., 2003, 18, 6, 492-496, https://doi.org/10.1002/ffj.1248 . [all data]

Pino, Marbot, et al., 2002
Pino, J.; Marbot, R.; Rosado, A., Volatile constituents of star apple (Chrysophyllum cainito L.) from Cuba, Flavour Fragr. J., 2002, 17, 5, 401-403, https://doi.org/10.1002/ffj.1116 . [all data]

Kim, Shin, et al., 2001
Kim, T.H.; Shin, J.H.; Baek, H.H.; Lee, H.J., Volatile flavour compounds in suspension culture of Agastache rugosa Kuntze (Korean mint), J. Sci. Food Agric., 2001, 81, 6, 569-575, https://doi.org/10.1002/jsfa.845 . [all data]

de Lacy Costello, Evans, et al., 2001
de Lacy Costello, B.P.J.; Evans, P.; Ewen, R.J.; Gunson, H.E.; Jones, P.R.H.; Ratcliffe, N.M.; Spencer-Phillips, P.T.N., Gas chromatography-mass spectrometry analyses of volatile organic compounds from potato tubers inoculated with Phytophthora infestans or Fusarium coeruleum, Plant Pathol., 2001, 50, 4, 489-496, https://doi.org/10.1046/j.1365-3059.2001.00594.x . [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]

Yin, Xiu, et al., 2001
Yin, W.; Xiu, Z.; Aijin, H., Analysis of the volatile components in trogopterorum feces by capillary gas chromatography and gas chromatography/mass spectrometry, Fenxi Huaxue, 2001, 29, 2, 195-198. [all data]

David, Scanlan, et al., 2000
David, F.; Scanlan, F.; Sandra, P., Retention time locking in flavor analysis, Proceedings 23rd ISCC; CD-ROM, 2000, retrieved from http://www.richrom.com/assets/CD23PDF. [all data]

Chassagne, Boulanger, et al., 1999
Chassagne, D.; Boulanger, R.; Crouzet, J., Enzymatic hydrolysis of edible Passiflora fruit glycosides, Food Chem., 1999, 66, 3, 281-288, https://doi.org/10.1016/S0308-8146(99)00044-8 . [all data]

Li, Wang, et al., 1998
Li, W.; Wang, H.; Sun, Y.; Huang, A.; Sun, Y., Capillary gas chromatographic analysis of volatile components in goat feces, Fenxi Huaxue, 1998, 26, 8, 935-939. [all data]

Sakho, Chassagne, et al., 1997
Sakho, M.; Chassagne, D.; Crouzet, J., African mango glycosidically bound volatile compounds, J. Agric. Food Chem., 1997, 45, 3, 883-888, https://doi.org/10.1021/jf960277b . [all data]

Gautzsch and Zinn, 1996
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