Phenol
- Formula: C6H6O
- Molecular weight: 94.1112
- IUPAC Standard InChIKey: ISWSIDIOOBJBQZ-UHFFFAOYSA-N
- CAS Registry Number: 108-95-2
- 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. - Isotopologues:
- Other names: Carbolic acid; Baker's P and S Liquid and Ointment; Benzenol; Hydroxybenzene; Izal; Monohydroxybenzene; Monophenol; Oxybenzene; Phenic acid; Phenyl alcohol; Phenyl hydrate; Phenyl hydroxide; Phenylic acid; Phenylic alcohol; PhOH; Benzene, hydroxy-; Acide carbolique; Baker's P & S liquid & Ointment; Fenol; Fenolo; NCI-C50124; Paoscle; Phenole; Carbolsaure; NA 2821; Phenol alcohol; Phenol, molten; Rcra waste number U188; UN 1671; UN 2312; UN 2821; Phenic alcohol; NSC 36808; Campho-Phenique Cold Sore Gel (Salt/Mix); Campho-Phenique Gel (Salt/Mix); Campho-Phenique Liquid (Salt/Mix)
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Van Den Dool and Kratz RI, 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 | Stabilwax | CP-Wax 52CB | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 30. | 60. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.5 | 0.25 |
Program | 40C => 3C/min => 100C => 5C/min => 240C(10min) | 45C(5min) => 10C/min => 80C => 2C/min => 240C | 50C => 6C/min => 70C => 4C/min => 150C => 10C/min => 250C | 50C => 6C/min => 70C => 4C/min => 150C => 10C/min => 250C | 20C(30s) => fast => 60C => 4C/min => 220C (20min) |
I | 2026. | 2015. | 1996. | 1996. | 1984. |
Reference | Natali N., Chinnici F., et al., 2006 | Verzera, Ziino, et al., 2004 | Pennarun, Prost, et al., 2003 | Pennarun, Prost, et al., 2002 | Cantergiani, Brevard, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | Supelcowax-10 | FFAP | Carbowax 20M |
Column length (m) | 60. | 50. | 150. |
Carrier gas | He | ||
Substrate | |||
Column diameter (mm) | 0.25 | 0.25 | 0.75 |
Phase thickness (μm) | 0.25 | 0.25 | |
Program | 40C => (6C/min) => 80C(6min) => (15C/min) => 200C(10min) | 20C (5min) => 2C/min => 70C => 4C/min => 210C | not specified |
I | 2003. | 2028. | 1990. |
Reference | Baek and Cadwallader, 1996 | Yasuhara, 1987 | Whitfield, Shea, et al., 1981 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, 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.
Natali N., Chinnici F., et al., 2006
Natali N.; Chinnici F.; Riponi C.,
Characterization of volatiles in extracts from oak chips obtained by accelerated solvent extraction (ASE),
J. Agric. Food Chem., 2006, 54, 21, 8190-8198, https://doi.org/10.1021/jf0614387
. [all data]
Verzera, Ziino, et al., 2004
Verzera, A.; Ziino, M.; Condurso, C.; Romeo, V.; Zappala, M.,
Solid-phase microextraction and gas chromatography-mass spectrometry for rapid characterisation of semi-hard cheeses,
Anal. Bioanal. Chem., 2004, 380, 7-8, 930-936, https://doi.org/10.1007/s00216-004-2879-4
. [all data]
Pennarun, Prost, et al., 2003
Pennarun, A.-L.; Prost, C.; Haure, J.; Demaimay, M.,
Comparison of two microalgal diets. 2. Influence on odorant composition and organoleptic qualities of raw oysters (Crassostrea gigas),
J. Agric. Food Chem., 2003, 51, 7, 2011-2018, https://doi.org/10.1021/jf020549c
. [all data]
Pennarun, Prost, et al., 2002
Pennarun, A.L.; Prost, C.; Demaimay, M.,
Identification and origin of the character-impact compounds of raw oyster Crassostrea gigas,
J. Sci. Food Agric., 2002, 82, 14, 1652-1660, https://doi.org/10.1002/jsfa.1236
. [all data]
Cantergiani, Brevard, et al., 2001
Cantergiani, E.; Brevard, H.; Krebs, Y.; Feria-Morales, A.; Amadò, R.; Yeretzian, C.,
Characterisation of the aroma of green Mexican coffee and identification of mouldy/earthy defect,
Eur. Food Res. Technol., 2001, 212, 6, 648-657, https://doi.org/10.1007/s002170100305
. [all data]
Baek and Cadwallader, 1996
Baek, H.H.; Cadwallader, K.R.,
Volatile compounds in flavor concentrates produced from crayfish-processing byproducts with and without protease treatment,
J. Agric. Food Chem., 1996, 44, 10, 3262-3267, https://doi.org/10.1021/jf960023q
. [all data]
Yasuhara, 1987
Yasuhara, A.,
Identification of Volatile Compounds in Poultry Manure by Gas Chromatography-Mass Spectrometry,
J. Chromatogr., 1987, 387, 371-378, https://doi.org/10.1016/S0021-9673(01)94539-X
. [all data]
Whitfield, Shea, et al., 1981
Whitfield, F.B.; Shea, S.R.; Gillen, K.J.; Shaw, K.J.,
Volatile components from the roots of Acacia pulchella R.Br. and their effect on Phytophthora cinnamomi rands,
Aust. J. Bot., 1981, 29, 2, 195-208, https://doi.org/10.1071/BT9810195
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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