Undecylenic acid

Formula: C₁₁H₂₀O₂
Molecular weight: 184.2753
IUPAC Standard InChI: InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)
IUPAC Standard InChIKey: FRPZMMHWLSIFAZ-UHFFFAOYSA-N
CAS Registry Number: 112-38-9
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: 10-Undecenoic acid; Declid; Desenex, solution; Renselin; Sevinon; Undec-10-enoic acid; 10-Hendecenoic acid; 10-Henedecenoic acid; 10-Undecylenic acid; n-Undecylenic acid; Desenex; Undecyl-10-enic acid; Undecen-10-acid-1; Kyselina undecylenova; Undecenoic acid; NSC 2013; Undecylenenic acid
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Gas Chromatography

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

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

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Column type	Active phase	I	Reference	Comment
Packed	SE-30	1421.	Peng, Ding, et al., 1988	He, Supelcoport and Chromosorb, 40. C @ 4. min, 10. K/min, 250. C @ 60. min; Column length: 3.05 m

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

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Column type	Active phase	I	Reference	Comment
Capillary	VF-5MS	1484.3	Tret'yakov, 2007	30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C

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

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Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	2358.	Shimoda, Yoshimura, et al., 2001	60. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; T_start: 50. C
Capillary	DB-Wax	2351.	Shiratsuchi, Shimoda, et al., 1994	60. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; T_start: 50. C

References

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Peng, Ding, et al., 1988
Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C., Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns, J. Chromatogr., 1988, 436, 137-172, https://doi.org/10.1016/S0021-9673(00)94575-8 . [all data]

Tret'yakov, 2007
Tret'yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [all data]

Shimoda, Yoshimura, et al., 2001
Shimoda, M.; Yoshimura, Y.; Yoshimura, T.; Noda, K.; Osajima, Y., Volatile flavor compounds of sweetened condensed milk, J. Food Sci., 2001, 66, 6, 804-807, https://doi.org/10.1111/j.1365-2621.2001.tb15176.x . [all data]

Shiratsuchi, Shimoda, et al., 1994
Shiratsuchi, H.; Shimoda, M.; Imayoshi, K.; Noda, K.; Osajima, Y., Volatile flavor compounds in spray-dried skim milk powder, J. Agric. Food Chem., 1994, 42, 4, 984-988, https://doi.org/10.1021/jf00040a028 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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