Benzaldehyde, 3-methyl-
- Formula: C8H8O
- Molecular weight: 120.1485
- IUPAC Standard InChI: InChI=1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3
- IUPAC Standard InChIKey: OVWYEQOVUDKZNU-UHFFFAOYSA-N
- CAS Registry Number: 620-23-5
- 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: m-Tolualdehyde; m-Methylbenzaldehyde; 3-Methylbenzaldehyde; m-Toluylaldehyde; 3-CH3C6H4CHO
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Normal alkane RI, non-polar column, temperature ramp
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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
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | HP-5 MS | VF-5MS | Ultra-1 | SE-30 |
| Column length (m) | 30. | 30. | 25. | 50. |
| Carrier gas | Helium | Helium | He | |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.5 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 70. | 240. | 80. | 40. |
| Tend (C) | 290. | 320. | 260. | 170. |
| Heat rate (K/min) | 5. | 20. | 3. | 3. |
| Initial hold (min) | 1. | 3. | ||
| Final hold (min) | 10. | |||
| I | 1086. | 1047. | 1034. | 1040. |
| Reference | Radulovic, Blagojevic, et al., 2010 | Kowalski, 2008 | Okumura, 1991 | Heydanek and McGorrin, 1981 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Radulovic, Blagojevic, et al., 2010
Radulovic, N.; Blagojevic, P.; Palic, R.,
Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae),
Molecules, 2010, 15, 9, 6168-6185, https://doi.org/10.3390/molecules15096168
. [all data]
Kowalski, 2008
Kowalski, R.,
Antimicrobial activity of essential oils and extracts of rosinweed (Silphoum trifoliatum and Silphium integrifolium) plants used by the American Indians,
Flav. Fragr. J., 2008, 23, 6, 426-433, https://doi.org/10.1002/ffj.1901
. [all data]
Okumura, 1991
Okumura, T.,
retention indices of environmental chemicals on methyl silicone capillary column,
Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333
. [all data]
Heydanek and McGorrin, 1981
Heydanek, M.G.; McGorrin, R.J.,
Gas chromatography-mass spectroscopy identification of volatiles from rancid oat groats,
J. Agric. Food Chem., 1981, 29, 5, 1093-1095, https://doi.org/10.1021/jf00107a051
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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