4-Methyl-2-pentyl acetate
- Formula: C8H16O2
- Molecular weight: 144.2114
- IUPAC Standard InChI: InChI=1S/C8H16O2/c1-6(2)5-7(3)10-8(4)9/h6-7H,5H2,1-4H3
- IUPAC Standard InChIKey: CPIVYSAVIPTCCX-UHFFFAOYSA-N
- CAS Registry Number: 108-84-9
- 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: 2-Pentanol, 4-methyl-, acetate; Acetic acid, 1,3-dimethylbutyl ester; Methylisoamyl acetate; Methylisobutylcarbinol acetate; Methylisobutylcarbinyl acetate; MAAc; 1,3-Dimethylbutyl acetate; 1,3-Dimethylbutyl ethanoate; 4-Methyl-2-amyl acetate; 4-Methyl-2-pentanol acetate; 1,3-Dimethylbutylester kyseliny octove; UN 1233; 4-Methylpent-2-yl acetate; 2-Pentanol, 4-methyl-, 2-acetate; NSC 567; Acetic acid, 4-methylpent-2-yl ester
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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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | OV-1 | 333. | 885.1 | Hu, Lu, et al., 2006 | |
| Packed | Apiezon L | 160. | 842. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | 5 % Phenyl methyl siloxane | 910. | Zaikin, 2010 | 30. m/0.25 mm/0.25 μm, 15. K/min, 270. C @ 15. min; Tstart: 60. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Methyl Silicone | 885. | Estrada and Gutierrez, 1999 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-20 | 1110. | Bignell, Dunlop, et al., 1997 | 25. m/0.33 mm/0.5 μm, H2, 5. K/min; Tstart: 80. C; Tend: 220. C |
| Capillary | BP-20 | 1109. | Bignell, Dunlop, et al., 1997, 2 | 25. m/0.33 mm/0.5 μm, H2, 5. K/min; Tstart: 80. C; Tend: 220. C |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hu, Lu, et al., 2006
Hu, X.-F.; Lu, C.-H.; Yin, C.-S.,
Modeling Gas Chromatographic Retention Indices of Oxygen-containing Compounds by Novel Atom-type Topological Indices,
Chinese Journal of Chemical Physics, 2006, 19, 3, 243-247, https://doi.org/10.1360/cjcp2006.19(3).243.5
. [all data]
Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S.,
Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]
Zaikin, 2010
Zaikin, V.G.,
Personal communication: Retention indices measured during 2010, 2010. [all data]
Estrada and Gutierrez, 1999
Estrada, E.; Gutierrez, Y.,
Modeling chromatographic parameters by a novel graph theoretical sub-structural approach,
J. Chromatogr. A, 1999, 858, 2, 187-199, https://doi.org/10.1016/S0021-9673(99)00808-0
. [all data]
Bignell, Dunlop, et al., 1997
Bignell, C.M.; Dunlop, P.J.; Brophy, J.J.,
Volatile leaf oils of some South-Western and Southern Australian species of the genus Eucalyptus (Series I). Part XVI: Subgenus symphyomyrtus, section bisectaria, series cneorifoliae, series porantherae and series falcatae,
Flavour Fragr. J., 1997, 12, 261-267. [all data]
Bignell, Dunlop, et al., 1997, 2
Bignell, C.M.; Dunlop, P.J.; Brophy, J.J.,
Volatile leaf oils of some south-western and southern Australian speices of the genus Eucalyptus (Series I). Part XVIII. A. Subgenus monocalyptus. B. Subgenus Symphyomyrtus: (i) section Guilfoyleanae; (ii) section bisectaria, series accedentes, series occidentales, series levispermae, series loxophlebae, series macrocarpae, series orbifoliae, series calycogonae; (iii) section dumaria, series incrassatae and series ovulares,
Flavour Fragr. J., 1997, 12, 423-432. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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