3-(Methylthio)hexyl hexanoate
- Formula: C13H26O2S
- Molecular weight: 246.409
- IUPAC Standard InChI: InChI=1S/C13H26O2S/c1-4-6-7-9-13(14)15-11-10-12(16-3)8-5-2/h12H,4-11H2,1-3H3
- IUPAC Standard InChIKey: YCHLQQVZMIQEAC-UHFFFAOYSA-N
- CAS Registry Number: 136954-24-0
- Chemical structure:
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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
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 2115. | Werkhoff, Güntert, et al., 1998 | 60. m/0.32 mm/0.25 μm, H2, 3. K/min; Tstart: 60. C; Tend: 220. C |
| Capillary | DB-Wax | 2095. | Engel and Tressl, 1991 | He, 2. K/min; Column length: 60. m; Column diameter: 0.32 mm; Tstart: 70. C; Tend: 230. C |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Werkhoff, Güntert, et al., 1998
Werkhoff, P.; Güntert, M.; Krammer, G.; Sommer, H.; Kaulen, J.,
Vacuum headspace method in aroma research: flavor chemistry of yellow passion fruits,
J. Agric. Food Chem., 1998, 46, 3, 1076-1093, https://doi.org/10.1021/jf970655s
. [all data]
Engel and Tressl, 1991
Engel, K.-H.; Tressl, R.,
Identification of new sulfur-containing volatiles in yellow passion fruits (Passiflora edulis f. flavicarpa),
J. Agric. Food Chem., 1991, 39, 12, 2249-2252, https://doi.org/10.1021/jf00012a030
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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