Acetophenone
- Formula: C8H8O
- Molecular weight: 120.1485
- IUPAC Standard InChIKey: KWOLFJPFCHCOCG-UHFFFAOYSA-N
- CAS Registry Number: 98-86-2
- 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: Ethanone, 1-phenyl-; Acetophenon; Benzoyl methide; Hypnon; Hypnone; Methyl phenyl ketone; Phenyl methyl ketone; 1-Phenylethanone; Acetylbenzene; 1-Phenyl-1-ethanone; Ketone, methyl phenyl-; USAF EK-496; Acetofenon; Benzene, acetyl-; Dymex; Rcra waste number U004; Acetylbenzol; NSC 7635; Phenylethanone; 1-phenylethanone (acetophenone)
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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 | Supelcowax-10 | Supelcowax-10 | CP-Wax 52CB | Stabilwax | DB-Wax |
Column length (m) | 30. | 30. | 60. | 30. | 60. |
Carrier gas | He | He | He | He | He |
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 | 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) | 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) | 45C(5min) => 10C/min => 80C => 2C/min => 240C | 40C => 3C/min => 100C => 5C/min => 240C(10min) | 35C(0.7min) => 20C/min => 70C => 4C/min => 240C |
I | 1660. | 1664. | 1656. | 1639. | 1619. |
Reference | Bianchi, Careri, et al., 2007 | Bianchi, Careri, et al., 2007 | Romeo, Ziino, et al., 2007 | Natali N., Chinnici F., et al., 2006 | Ferrari, Lablanquie, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Wax 52CB | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 60. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.5 | 0.5 | 0.25 | 0.25 |
Program | 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) | 30C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
I | 1660. | 1645. | 1645. | 1630. | 1689. |
Reference | Verzera, Ziino, et al., 2004 | Pennarun, Prost, et al., 2003 | Pennarun, Prost, et al., 2002 | Cantergiani, Brevard, et al., 2001 | Radovic, Careri, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | DB-Wax | EC-WAX | EC-WAX | Carbowax 20M |
Column length (m) | 60. | 30. | 30. | 150. |
Carrier gas | He | He | He | |
Substrate | ||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.75 |
Phase thickness (μm) | 0.25 | 0.25 | ||
Program | 45C(4min) => 30C/min => 60C (5min) => 3C/min => 220C (40min) | 40C(5min) => 3C/min => 165C => 20C/min => 220C | not specified | |
I | 1690. | 1655. | 1654. | 1662. |
Reference | Ziegleder, 2001 | Boatright and Lei, 1999 | Boatright and Lei, 1999 | Whitfield, Shea, et al., 1981 |
Comment | MSDC-RI | 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.
Bianchi, Careri, et al., 2007
Bianchi, F.; Careri, M.; Mangia, A.; Musci, M.,
Retention indices in the analysis of food aroma volatile compounds in temperature-programmed gas chromatography: Database creation and evaluation of precision and robustness,
J. Sep. Sci., 2007, 39, 4, 563-572, https://doi.org/10.1002/jssc.200600393
. [all data]
Romeo, Ziino, et al., 2007
Romeo, V.; Ziino, M.; Giuffrrida, D.; Condurso, C.; Verzera, A.,
Flavour profile of capers (Capparis spinosa L.) from the Eolian Archipelago by HS-SPME/GC?MS,
Food Chem., 2007, 101, 3, 1272-1278, https://doi.org/10.1016/j.foodchem.2005.12.029
. [all data]
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]
Ferrari, Lablanquie, et al., 2004
Ferrari, G.; Lablanquie, O.; Cantagrel, R.; Ledauphin, J.; Payot, T.; Fournier, N.; Guichard, E.,
Determination of key odorant compounds in freshly distilled cognac using GC-O, GC-MS, and sensory evaluation,
J. Agric. Food Chem., 2004, 52, 18, 5670-5676, https://doi.org/10.1021/jf049512d
. [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]
Radovic, Careri, et al., 2001
Radovic, B.S.; Careri, M.; Mangia, A.; Musci, M.; Gerboles, M.; Anklam, E.,
Analytical, nutritional, and clinical methods section. Contribution of dynamic headspace GC-MS analysis of aroma compounds to authenticity testing of honey,
Food Chem., 2001, 72, 4, 511-520, https://doi.org/10.1016/S0308-8146(00)00263-6
. [all data]
Ziegleder, 2001
Ziegleder, G.,
Odorous compounds in paperboard as influenced by recycled material and storage,
Packag. Technol. Sci., 2001, 14, 4, 131-136, https://doi.org/10.1002/pts.541
. [all data]
Boatright and Lei, 1999
Boatright, W.L.; Lei, Q.,
Compounds contributing to the Beany odor of aqueous solutions of soy protein isolates,
J. Food Sci., 1999, 64, 4, 667-670, https://doi.org/10.1111/j.1365-2621.1999.tb15107.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
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