Thiophene, 2-heptyl-

Formula: C₁₁H₁₈S
Molecular weight: 182.326
IUPAC Standard InChI: InChI=1S/C11H18S/c1-2-3-4-5-6-8-11-9-7-10-12-11/h7,9-10H,2-6,8H2,1H3
IUPAC Standard InChIKey: FGGZOCMVJAJPMH-UHFFFAOYSA-N
CAS Registry Number: 18794-78-0
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: 2-n-Heptylthiophene; 2-Heptylthiophene
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Other data available:
- Mass spectrum (electron ionization)
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Gas Chromatography

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

Van Den Dool and Kratz RI, non-polar column, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	CP Sil 8 CB	1379.	Elmore and Mottram, 2000	60. m/0.25 mm/0.25 μm, 60. C @ 2. min, 15. K/min; T_end: 280. C

Van Den Dool and Kratz RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	CP-Wax 52CB	1684.	Liu, Yang, et al., 2001	H2, 2. K/min; Column length: 50. m; Column diameter: 0.32 mm; T_start: 50. C; T_end: 200. C
Capillary	DB-Wax	1652.	Chung, Eiserich, et al., 1994	He, 60. C @ 4. min, 3. K/min, 220. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm
Capillary	CP-WAX 57CB	1653.	Whitfield, Mottram, et al., 1988	He, 60. C @ 5. min, 4. K/min, 200. C @ 10. min; Column length: 50. m; Column diameter: 0.32 mm
Capillary	CP-WAX 57CB	1660.	Whitfield, Mottram, et al., 1988	He, 60. C @ 5. min, 4. K/min, 200. C @ 10. min; Column length: 50. m; Column diameter: 0.32 mm

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

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Column type	Active phase	I	Reference	Comment
Capillary	SE-30	1359.	Vinogradov, 2004	Program: not specified

Normal alkane RI, polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	Carbowax 20M	1670.	Vinogradov, 2004	Program: not specified

References

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Elmore and Mottram, 2000
Elmore, J.S.; Mottram, D.S., Formation of 2-alkyl-(2H)-thiapyrans and 2-Alkylthiophenes in cooked beef and lamb, J. Agric. Food Chem., 2000, 48, 6, 2420-2424, https://doi.org/10.1021/jf000124v . [all data]

Liu, Yang, et al., 2001
Liu, T.-T.; Yang, T.-S.; Wu, C.-M., Changes of volatiles in soy sauce-stewed pork during cold storage and reheating, J. Sci. Food Agric., 2001, 81, 15, 1547-1552, https://doi.org/10.1002/jsfa.978 . [all data]

Chung, Eiserich, et al., 1994
Chung, T.Y.; Eiserich, J.P.; Shibamoto, T., Volatile compounds produced from peanut oil heated with different amounts of cysteine, J. Agric. Food Chem., 1994, 42, 8, 1743-1746, https://doi.org/10.1021/jf00044a032 . [all data]

Whitfield, Mottram, et al., 1988
Whitfield, F.B.; Mottram, D.S.; Brock, S.; Puckey, D.J.; Salter, L.J., Effect of Phospholipid on the Formation of Volatile Heterocyclic Compounds in Heated Aqueous Solutions of Amino Acids and Ribose, J. Sci. Food Agric., 1988, 42, 3, 261-272, https://doi.org/10.1002/jsfa.2740420309 . [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

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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