2-Buten-1-ol, 3-methyl-, acetate
- Formula: C7H12O2
- Molecular weight: 128.1690
- IUPAC Standard InChI: InChI=1S/C7H12O2/c1-6(2)4-5-9-7(3)8/h4H,5H2,1-3H3
- IUPAC Standard InChIKey: XXIKYCPRDXIMQM-UHFFFAOYSA-N
- CAS Registry Number: 1191-16-8
- 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: Prenyl acetate; 3-Methyl-2-buten-1-ol, acetate; 3-Methyl-2-butenyl acetate; 3,3-Dimethylallyl acetate; Dimethylallyl acetate; γ,γ-Dimethylallyl acetate; Isopent-2-enyl acetate; 3-Methyl-2-buten-1-yl acetate; 3-Methyl-but-2-en-1-yl acetate; 3-Methyl, but-2-enyl acetate; isopentenyl acetate
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Normal alkane RI, non-polar column, temperature ramp
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 | DB-1-MS | Ultra-2 | DB-1 | DB-1 | DB-5 MS |
| Column length (m) | 60. | 50. | 30. | 60. | 30. |
| Carrier gas | Helium | He | N2 | He | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.32 | 0.25 | 0.25 | |
| Tstart (C) | 30. | 50. | 80. | 50. | 50. |
| Tend (C) | 200. | 270. | 225. | 250. | 250. |
| Heat rate (K/min) | 2. | 2. | 4. | 3.5 | 4. |
| Initial hold (min) | 4. | 5. | |||
| Final hold (min) | 35. | ||||
| I | 909. | 922. | 895. | 902. | 923. |
| Reference | Takeoka, Hobbs, et al., 2010 | Schlumpberger B.O., Clery R.A., et al., 2006 | Palá-Paúl, Pérez-Alonso, et al., 2001 | Stashenko, Torres, et al., 1995 | Gomez and Ledbetter, 1994 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | DB-1 | SE-30 |
| Column length (m) | 60. | 200. |
| Carrier gas | He | N2 |
| Substrate | ||
| Column diameter (mm) | 0.32 | 0.6 |
| Phase thickness (μm) | ||
| Tstart (C) | 30. | 20. |
| Tend (C) | 210. | 220. |
| Heat rate (K/min) | 2. | 2. |
| Initial hold (min) | 4. | |
| Final hold (min) | ||
| I | 902. | 904. |
| Reference | Takeoka and Butter, 1989 | Dirinck, de Pooter, et al., 1981 |
| Comment | 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.
Takeoka, Hobbs, et al., 2010
Takeoka, G.R.; Hobbs, C.; Byeoung-Soo, P.,
Volatile constituents of the aerial parts of Salvia apiana Jepson,
J. Essential Oil. Res., 2010, 22, 3, 241-244, https://doi.org/10.1080/10412905.2010.9700314
. [all data]
Schlumpberger B.O., Clery R.A., et al., 2006
Schlumpberger B.O.; Clery R.A.; Barthlott W.,
A unique cactus with scented and possibly bat-dispersed fruits: Rhipsalis juengeri,
Plant Biology, 2006, 8, 2, 265-270, https://doi.org/10.1055/s-2005-873045
. [all data]
Palá-Paúl, Pérez-Alonso, et al., 2001
Palá-Paúl, J.; Pérez-Alonso, M.J.; Velasco-Negueruela, A.; Palá-Paúl, R.; Sanz, J.; Conejero, Fco.,
Seasonal variation in chemical constituents of Santolina rosmarinifolia L. ssp. rosmarinifolia,
Biochem. Syst. Ecol., 2001, 29, 7, 663-672, https://doi.org/10.1016/S0305-1978(01)00032-1
. [all data]
Stashenko, Torres, et al., 1995
Stashenko, E.E.; Torres, W.; Morales, J.R.M.,
A study of the compositional variation of the essential oil of ylang-ylang (Cananga odorata Hook Fil. et Thomson, forma genuina) during flower development,
J. Hi. Res. Chromatogr., 1995, 18, 2, 101-104, https://doi.org/10.1002/jhrc.1240180206
. [all data]
Gomez and Ledbetter, 1994
Gomez, E.; Ledbetter, C.A.,
Comparative study of the aromatic profiles of two different plum species: Prunus salicina Lindl and Prunus simonii L.,
J. Sci. Food Agric., 1994, 65, 1, 111-115, https://doi.org/10.1002/jsfa.2740650116
. [all data]
Takeoka and Butter, 1989
Takeoka, G.; Butter, R.G.,
Volatile constituents of pineapple (Ananas Comosus [L.] Merr.)
in Flavor Chemistry. Trends and Developments, Teranishi,R.; Buttery,R.G.; Shahidi,F., ed(s)., American Chemical Society, Washington, DC, 1989, 223-237. [all data]
Dirinck, de Pooter, et al., 1981
Dirinck, P.J.; de Pooter, H.L.; Willaert, G.A.; Schamp, N.M.,
Flavor quality of cultivated strawberries: the role of the sulfur compounds,
J. Agric. Food Chem., 1981, 29, 2, 316-321, https://doi.org/10.1021/jf00104a024
. [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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