Ethanone, 1-(4-methylphenyl)-
- Formula: C9H10O
- Molecular weight: 134.1751
- IUPAC Standard InChI: InChI=1S/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3
- IUPAC Standard InChIKey: GNKZMNRKLCTJAY-UHFFFAOYSA-N
- CAS Registry Number: 122-00-9
- 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. - Other names: Acetophenone, 4'-methyl-; p-Acetyltoluene; p-Methylacetophenone; Melilotal; Methyl p-tolyl ketone; 1-Acetyl-4-methylbenzene; 4-Methylacetophenone; 4'-Methylacetophenone; 1-(4-Methylphenyl)-1-ethanone; p-Acetotoluene; 1-Methyl-4-acetylbenzene; (4-Methylphenyl) methyl ketone; 4-Acetyltoluene; para-Methyl-acetophenone; 1-p-Tolylethanone; NSC 9401; 1-(4-Methylphenyl)ethanone
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
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.
Normal alkane RI, non-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 | Polydimethyl siloxane with 5 % Ph groups | Polydimethyl siloxane with 5 % Ph groups | HP-5 | HP-5 | HP-5 MS |
| Column length (m) | 25. | 25. | 30. | ||
| Carrier gas | Helium | Helium | Helium | ||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | ||
| Phase thickness (μm) | 0.17 | 0.17 | 0.25 | ||
| Program | not specified | not specified | 60 0C (5 min) 4 0C/min -> 220 0C 11 0C/min -> 280 0C (15 min) | not specified | 40 0C (5 min) 2 0C/min -> 270 0C -> 260 0C (20 min) |
| I | 1179. | 1199. | 1183. | 1182. | 1184. |
| Reference | Robinson, Adams, et al., 2012 | Robinson, Adams, et al., 2012 | Custer, 2009 | Custer, 2009 | Mancini, Arnold, et al., 2009 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SLB-5 MS | SLB-5 MS | HP-5MS | OV-101 | HP-5MS |
| Column length (m) | 30. | 30. | 30. | 30. | |
| Carrier gas | Helium | Helium | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Program | 50 0C 3 0C/min -> 250 0C (1 min) 10 0C/min -> 300 0C (5 min) | not specified | 40C(10min) => 3C/min => 200C => 2C/min => 220C | not specified | 40C(5min) => 2C/min => 250C (15min) => 10C/min => 270C |
| I | 1188. | 1179. | 1188. | 1163. | 1184. |
| Reference | Costa, De Fina, et al., 2008 | Costa, De Fina, et al., 2008 | Takaku, Haber, et al., 2007 | Ebrahimi and Hadjmohammadi, 2006 | Senatore, Apostolides Arnold, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5MS | Methyl Silicone | SE-30 | CP Sil 5 CB | RTX-5 |
| Column length (m) | 30. | 50. | 30. | ||
| Carrier gas | He | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.53 | ||
| Phase thickness (μm) | 0.25 | 1.2 | 1.5 | ||
| Program | 70C(2min) => 10C/min => 150C(15min) => 5C/min => 240C | not specified | not specified | 30C => 55C/min => 85C => 1C/min => 145C => 3C/min => 250C | 35 0C (2 min) 40 0C/min -> 60 0C (1 min) 6 0C/min -> 230 0C |
| I | 1177. | 1180. | 1166. | 1158. | 1193. |
| Reference | Bagci and Baser, 2005 | Couladis, Özcan, et al., 2004 | Vinogradov, 2004 | Guyot, Bouseta, et al., 1998 | Masanetz and Grosch, 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | CP Sil 5 CB | CP Sil 5 CB | Polydimethyl siloxanes | SE-54 |
| Column length (m) | 25. | 25. | 30. | |
| Carrier gas | He | N2 | He | |
| Substrate | ||||
| Column diameter (mm) | 0.32 | |||
| Phase thickness (μm) | 0.39 | 0.39 | 0.3 | |
| Program | not specified | not specified | not specified | 35C(2min) => 40C/min => 50C(2min) => 6C/min => 230C(10min) |
| I | 1164. | 1156. | 1158. | 1191. |
| Reference | Weyerstahl, Marschall, et al., 1998 | Weyerstahl, Marschall, et al., 1998, 2 | Zenkevich and Chupalov, 1996 | Blank, Fischer, et al., 1989 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
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]
Custer, 2009
Custer, Y.,
GC Volatile Components Analysis of Different Parts of Litchi chinensis (Dissertation), 2009. [all data]
Mancini, Arnold, et al., 2009
Mancini, E.; Arnold, N.A.; De Martino, L.; De Feo, V.; Formisano, C.; Rigano, D.; Senatore, F.,
Chemical composition and phytotoxic effects of essential oils of Salvia hierosolymitana Boiss. and Salvia multicaulis Vahl. var. simplicifolia Boiss. growing wild in Lebanon,
Molecules, 2009, 14, 11, 4725-4736, https://doi.org/10.3390/molecules14114725
. [all data]
Costa, De Fina, et al., 2008
Costa, R.; De Fina, M.R.; Valentino, M.R.; Rustaiyan, A.; Dugo, P.; Dugo, G.; Mondello, L.,
An investigation on the volatile composition of some Artemisia species from Iran,
Flavour Fragr. J., 2008, 24, 2, 75-82, https://doi.org/10.1002/ffj.1919
. [all data]
Takaku, Haber, et al., 2007
Takaku, S.; Haber, W.A.; Setzer, W.N.,
Leaf essential oil composition of 10 species of Ocotea (Lauraceae) from Monteverde, Costa Rica,
Biochem. Syst. Ecol., 2007, 35, 8, 525-532, https://doi.org/10.1016/j.bse.2007.02.003
. [all data]
Ebrahimi and Hadjmohammadi, 2006
Ebrahimi, P.; Hadjmohammadi, M.R.,
Simultaneous modeling of the Kovats retention indices on phenyl OV stationary phases with different polarity using MLR and ANN,
QSAR Comb. Sci., 2006, 25, 10, 836-845, https://doi.org/10.1002/qsar.200530145
. [all data]
Senatore, Apostolides Arnold, et al., 2006
Senatore, F.; Apostolides Arnold, N.; Piozzi, F.; Formisano, C.,
Chemical composition of the essential oil of Salvia microstegia Boiss. et Balansa growing wild in Lebanon,
J. Chromatogr. A, 2006, 1108, 2, 276-278, https://doi.org/10.1016/j.chroma.2006.01.066
. [all data]
Bagci and Baser, 2005
Bagci, E.; Baser, K.H.C.,
Study of the essential oils of Thymus haussknechtii Velen and Thymus kotschyanus Boiss. et Hohen var. kotschyanus (Lamiaceae) taxa from the eastern Anatolian region in Turkey,
Flavour Fragr. J., 2005, 20, 2, 199-202, https://doi.org/10.1002/ffj.1397
. [all data]
Couladis, Özcan, et al., 2004
Couladis, M.; Özcan, M.; Tzakou, O.; Akgül, A.,
Menengic (Pistacia terebinthus L.) agacinin degisik organlarinda ucucu yag bilesimi, Bitkisel Ilac Hammaddeleri Toplantisi, Bildiriler, 29-31 Mayis 2002, 2004, 6. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Guyot, Bouseta, et al., 1998
Guyot, C.; Bouseta, A.; Scheirman, V.; Collin, S.,
Floral origin markers of chestnut and lime tree honeys,
J. Agric. Food Chem., 1998, 46, 2, 625-633, https://doi.org/10.1021/jf970510l
. [all data]
Masanetz and Grosch, 1998
Masanetz, C.; Grosch, W.,
Key odorants of parsley leaves (Petroselinum crispum [Mill.] Nym. ssp. crispum) by odour-activity values,
Flavour Fragr. J., 1998, 13, 2, 115-124, https://doi.org/10.1002/(SICI)1099-1026(199803/04)13:2<115::AID-FFJ706>3.0.CO;2-6
. [all data]
Weyerstahl, Marschall, et al., 1998
Weyerstahl, P.; Marschall, H.; Weirauch, M.; Thefeld, K.; Surburg, H.,
Constituents of commercial Labdanum oil,
Flavour Fragr. J., 1998, 13, 5, 295-318, https://doi.org/10.1002/(SICI)1099-1026(1998090)13:5<295::AID-FFJ751>3.0.CO;2-I
. [all data]
Weyerstahl, Marschall, et al., 1998, 2
Weyerstahl, P.; Marschall, H.; Thefeld, K.; Subba, G.C.,
Constituents of the essential oil from the rhizomes of Hedychium gardnerianum Roscoe,
Flavour Fragr. J., 1998, 13, 6, 377-388, https://doi.org/10.1002/(SICI)1099-1026(199811/12)13:6<377::AID-FFJ755>3.0.CO;2-F
. [all data]
Zenkevich and Chupalov, 1996
Zenkevich, I.G.; Chupalov, A.A.,
New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments,
Zh. Org. Khim. (Rus.), 1996, 32, 5, 656-666. [all data]
Blank, Fischer, et al., 1989
Blank, I.; Fischer, K.-H.; Grosch, W.,
Intensive neutral odourants of linden honey,
Z. Lebensm. Unters. Forsch., 1989, 189, 5, 426-433, https://doi.org/10.1007/BF01028316
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.