Butanoic acid, 2-methyl-, 3-methylbutyl ester
- Formula: C10H20O2
- Molecular weight: 172.2646
- IUPAC Standard InChI: InChI=1S/C10H20O2/c1-5-9(4)10(11)12-7-6-8(2)3/h8-9H,5-7H2,1-4H3
- IUPAC Standard InChIKey: VGIRHYHLQKDEPP-UHFFFAOYSA-N
- CAS Registry Number: 27625-35-0
- 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: iso-Amyl 2-methyl butyrate; Isopentyl 2-methylbutanoate; 3-Methylbutyl 2-methylbutanoate; 3-Methylbutyl-2-methyl-butyrate
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Normal alkane RI, non-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 | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Polydimethyl siloxane with 5 % Ph groups | Polydimethyl siloxane with 5 % Ph groups | DB-1 | SLB-5 MS | HP-5 |
| Column length (m) | 30. | 30. | |||
| Carrier gas | Hydrogen | Helium | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | |||
| Phase thickness (μm) | 0.25 | 0.25 | |||
| Program | not specified | not specified | 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min) | not specified | 50C => 3C/min => 200C(10min) => 10C/min => 290C(10min) |
| I | 1100. | 1102. | 1074. | 1105. | 1104. |
| Reference | Robinson, Adams, et al., 2012 | Robinson, Adams, et al., 2012 | Mendes, Trindade, et al., 2009 | Lo Presti, Sciarrone, et al., 2008 | Splivallo, Bossi, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | CP Sil 8 CB | CP Sil 8 CB | SE-30 | Methyl Silicone |
| Column length (m) | 50. | 50. | ||
| Carrier gas | He | He | ||
| Substrate | ||||
| Column diameter (mm) | 0.32 | 0.32 | ||
| Phase thickness (μm) | 0.25 | 0.25 | ||
| Program | 50C(5min) => 2C/min => 90C => 15C/min => 240C(4min) | 60C(1min) => 5C/min => 160C => 5C/min => 250C(3min) | not specified | not specified |
| I | 1101. | 1100. | 1087. | 1088. |
| Reference | Butkienë, Nivinskienë, et al., 2005 | Nivinskienë, Butkienë, et al., 2005 | Vinogradov, 2004 | Grundschober, 1991 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D.,
Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data),
Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023
. [all data]
Mendes, Trindade, et al., 2009
Mendes, M.D.; Trindade, H.; Figueiredo, A.C.; Barroso, J.G.; Fontinha, S.S.; Pedro, L.G.,
Volatile and molecular characterization of two Portuguese endemic species: Angelica lignescens and Melanoselinium decipiens,
Biochen. Systematics Ecol., 2009, 37, 2, 98-105, https://doi.org/10.1016/j.bse.2008.12.006
. [all data]
Lo Presti, Sciarrone, et al., 2008
Lo Presti, M.; Sciarrone, D.; Crupi, M.C.; Costa, R.; Ragusa, S.; Dugo, G.; Mondello, L.,
Evaliation of the volatile and chiral composition in Pistacia lentiscus L. essential oil,
Flavour Fragr. J., 2008, 23, 4, 249-257, https://doi.org/10.1002/ffj.1878
. [all data]
Splivallo, Bossi, et al., 2007
Splivallo, R.; Bossi, S.; Maffei, M.; Bonfante, P.,
Discrimination of truffle fruiting body versus mycelial aromas by stir bar sorptive extraction,
Phytochemistry, 2007, 68, 20, 2584-2598, https://doi.org/10.1016/j.phytochem.2007.03.030
. [all data]
Butkienë, Nivinskienë, et al., 2005
Butkienë, R.; Nivinskienë, O.; Mockutë, D.,
α-Pinene chemotype of leaf (needle) essential oils of Juniperus communis L. growing wild in Vilnius district,
Chemija, 2005, 16, 1, 53-60. [all data]
Nivinskienë, Butkienë, et al., 2005
Nivinskienë, O.; Butkienë, R.; Mockutë, D.,
Chemical composition of seed (fruit) essential oils of Angelica archangelica L. growing wild in Lithuania,
Chemija, 2005, 16, 3-4, 51-54. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Grundschober, 1991
Grundschober, F.,
The identification of individual components in flavourings and flavoured foods,
Z. Lebensm. Unters. Forsch., 1991, 192, 6, 530-534, https://doi.org/10.1007/BF01202508
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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