3-Buten-2-one, 3-methyl-
- Formula: C5H8O
- Molecular weight: 84.1164
- IUPAC Standard InChI: InChI=1S/C5H8O/c1-4(2)5(3)6/h1H2,2-3H3
- IUPAC Standard InChIKey: ZGHFDIIVVIFNPS-UHFFFAOYSA-N
- CAS Registry Number: 814-78-8
- 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: Isopropenyl methyl ketone; Methyl isopropenyl ketone; CH2=C(CH3)C(=O)CH3; Ketone, methyl isopropenyl; 2-Methyl-1-buten-3-one; 3-Methyl-3-buten-2-on; 3-Methyl-3-buten-2-one; UN 1246; 3- Methyl-3- butene-2- one; 3- Methyl-3- butene-2- one (methyl isopropenyl ketone); 3-methylbut-3-en-2-one
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Normal alkane 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 |
|---|---|---|---|
| Active phase | DB-Wax | Supelcowax 10 | Supelcowax 10 |
| Column length (m) | 60. | 60. | 60. |
| Carrier gas | Helium | Helium | Helium |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
| Program | 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C | 60 0C (10 min) 2 0C/min -> 80 0C 3 0C/min -> 100 0C 4 0C/min -> 220 0C (30 min) | not specified |
| I | 987. | 991. | 1000. |
| Reference | Kim. J.H., Ahn, et al., 2004 | Castioni and Kapetanidis, 1996 | Castioni and Kapetanidis, 1996 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Kim. J.H., Ahn, et al., 2004
Kim. J.H.; Ahn, H.J.; Yook, H.S.; Kim, K.S.; Rhee, M.S.; Ryu, G.H.; Byun, M.W.,
Color, flavor, and sensory characteristics of gamma-irradiated salted and fermented anchovy sauce,
Radiation Phys. Chem., 2004, 69, 2, 179-187, https://doi.org/10.1016/S0969-806X(03)00400-6
. [all data]
Castioni and Kapetanidis, 1996
Castioni, P.; Kapetanidis, I.,
Volatile constituents from Brunfelsia grandiflora ssp. grandiflora: qualitative analysis by GC-MS,
Scientia Pharmaceutica, 1996, 64, 83-91. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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