1-Sulfanyl-3-butyl acetate

Formula: C₆H₁₂O₂S
Molecular weight: 148.223
IUPAC Standard InChI: InChI=1S/C6H12O2S/c1-5(3-4-9)8-6(2)7/h5,9H,3-4H2,1-2H3
IUPAC Standard InChIKey: PPGZGGPLMMKFKW-UHFFFAOYSA-N
Chemical structure:
This structure is also available as a 2d Mol file
Species with the same structure:
- 1-mercaptobutyl-3-acetate
- 1-Mercaptobutyl-3-acetate
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Normal alkane RI, non-polar column, custom temperature program

Column type	Active phase	I	Reference	Comment
Capillary	CP-Sil 5 CB	1024.	Gros, Nizet, et al., 2011	50. m/0.32 mm/1.20 μm, Nitrogen; Program: 36 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C (30 min)

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	FFAP	1542.	Gros, Nizet, et al., 2011	25. m/0.32 mm/0.30 μm, Nitrogen; Program: 36 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C (30 min)

References

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Gros, Nizet, et al., 2011
Gros, J.; Nizet, S.; Collin, S., Occurence of odorant polyfunctional thiols in the Super Alpha Tomahawk Hop cultivar. Comparison with the thiol-rich Nelson Sauvin bitter variety, J. Agric. Food Chem., 2011, 59, 16, 8853-8865, https://doi.org/10.1021/jf201294e . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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