2(3H)-Furanone, 5-butyldihydro-4-methyl-
- Formula: C9H16O2
- Molecular weight: 156.2221
- IUPAC Standard InChI: InChI=1S/C9H16O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3
- IUPAC Standard InChIKey: WNVCMFHPRIBNCW-UHFFFAOYSA-N
- CAS Registry Number: 39212-23-2
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: 5-Butyldihydro-4-methyl-2(3H)-furanone; 5-Butyl-4-methyldihydro-2(3H)-furanone; β-Methyl-γ-octalactone; 2(3H)-Furanone, dihydro, 5-butyl-4-methyl; Oaklactone; 5-Butyl-4-methyldihydrofuran-2(3H)-one; Whiskey lactone; 5-butyl-4-methyldihydrofuran-2( 3H)-one (β-methyl-γ-octalactone); 4-Butyl-3-methyl-γ-butanolide; (E)-Oak lactone; 5-butyldihydro-4-methylfuran-2(3H)-one
- Information on this page:
- Other data available:
- Options:
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 | CP-Sil 5 CB | CP Sil 5 CB | SE-30 |
| Column length (m) | 50. | 50. | |||
| Carrier gas | Nitrogen | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | |||
| Phase thickness (μm) | 1.20 | 1.2 | |||
| Program | not specified | not specified | 36 0C 20 0C/min -> 85 0C 1 0C -> 145 0C 3 0C/min -> 250 0C | 36C => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C | not specified |
| I | 1299. | 1304. | 1281. | 1281. | 1240. |
| Reference | Robinson, Adams, et al., 2012 | Robinson, Adams, et al., 2012 | Bailly, Jerkovic, et al., 2009 | Bailly, Jerkovic, et al., 2006 | Vinogradov, 2004 |
| Comment | MSDC-RI | 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]
Bailly, Jerkovic, et al., 2009
Bailly, S.; Jerkovic, V.; Meuree, A.; Timmermans, A.; Collin, S.,
Fate of key odorants in Sauternes wines through aging,
J. Agric. Food Chem., 2009, 57, 18, 8557-8563, https://doi.org/10.1021/jf901429d
. [all data]
Bailly, Jerkovic, et al., 2006
Bailly, S.; Jerkovic, V.; Marchand-Brynaert, J.; Collin, S.,
Aroma Extraction Dilution Analysis of Sauternes Wines. Key Role of Polyfunctional Thiols,
J. Agric. Food Chem., 2006, 54, 19, 7227-7234, https://doi.org/10.1021/jf060814k
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [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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