Benzaldehyde, 3,4-dimethyl-
- Formula: C9H10O
- Molecular weight: 134.1751
- IUPAC Standard InChI: InChI=1S/C9H10O/c1-7-3-4-9(6-10)5-8(7)2/h3-6H,1-2H3
- IUPAC Standard InChIKey: POQJHLBMLVTHAU-UHFFFAOYSA-N
- CAS Registry Number: 5973-71-7
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 3,4-Dimethylbenzaldehyde
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Gas phase ion energetics 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C9H10O+ (ion structure unspecified)
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C7H7+ | 11.1 | ? | EI | Schwarz, Bohlmann, et al., 1973 |
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
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax-10 | 1790. | Chung, 1999 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1165. | Pala-Paul, Brophy, et al., 2007 | 50. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 95. C; Tend: 240. C |
References
Go To: Top, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Schwarz, Bohlmann, et al., 1973
Schwarz, H.; Bohlmann, F.; Vorlaender, W.,
Elektronenstossinduzierte fragmenterung von polymethylbenzaldehyden. III. Bildung und zerfall des formyltropylium-dimethylbenzaldehyd,
Org. Mass Spectrom., 1973, 7, 1005. [all data]
Chung, 1999
Chung, H.Y.,
Volatile components in crabmeats of Charybdis feriatus,
J. Agric. Food Chem., 1999, 47, 6, 2280-2287, https://doi.org/10.1021/jf981027t
. [all data]
Pala-Paul, Brophy, et al., 2007
Pala-Paul, J.; Brophy, J.J.; Perez-Alonso, M.J.; Usano, J.; Soria, S.C.,
Essential oil composition of the different parts of Eryngium corniculatum Lam. (Apiaceae) from Spain,
J. Chromatogr. A, 2007, 1175, 2, 289-293, https://doi.org/10.1016/j.chroma.2007.10.061
. [all data]
Notes
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- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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