Neric acid

Formula: C₁₀H₁₆O₂
Molecular weight: 168.2328
IUPAC Standard InChI: InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7-
IUPAC Standard InChIKey: ZHYZQXUYZJNEHD-CLFYSBASSA-N
CAS Registry Number: 4613-38-1
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.
Stereoisomers:
- Geranic acid
- 2,6-Octadienoic acid, 3,7-dimethyl-, (E)-
Other names: Nerolic acid; (2Z)-3,7-Dimethyl-2,6-octadienoic acid; (Z)-3,7-Dimethylocta-2,6-dienoic acid; (Z)-Isogeranic acid
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Information on this page:
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 5 CB	1365.	Weyerstahl, Marschall, et al., 1999	He, 5. K/min; Column length: 25. m; Column diameter: 0.25 mm; T_start: 60. C; T_end: 260. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	1330.6	Andriamaharavo, 2014	30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	OV-1	1340.	Hu, Liang, et al., 2010	30. m/0.25 mm/0.25 μm, Helium, 50. C @ 3. min, 5. K/min, 250. C @ 2. min
Capillary	DB-5	1340.	Ouamba, Ouabonzi, et al., 2006	25. m/0.25 mm/0.15 μm, N2, 50. C @ 3. min, 4. K/min; T_end: 200. C
Capillary	DB-5MS	1347.	Watanabe Y., Mihara R., et al., 2005	30. m/0.25 mm/0.25 μm, He, 80. C @ 2. min, 5. K/min, 250. C @ 9. min
Capillary	BP-5	1374.	Doimo, 2001	50. m/0.25 mm/1. μm, H2, 6. K/min; T_start: 60. C; T_end: 270. C
Capillary	OV-101	1316.	Menon, Chacko, et al., 1999	N2, 1. K/min, 200. C @ 20. min; Column length: 50. m; Column diameter: 0.2 mm; T_start: 80. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	DB-1	1299.	Delort and Jaquier, 2009	60. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (5 min) 3 0C/min -> 120 0C 5 0C/min -> 250 0C (3 min) 15 0C/min -> 300 0C (20 min)
Packed	OV-101	1316.	Swigar and Silverstein, 1981	N2, Chromosorb G 60-80mesh DMCS; Column length: 2.5 m; Program: not specified

Normal alkane RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax Etr	2366.	Ibarz, Ferreira, et al., 2006	60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 230. C @ 100. min
Capillary	Innowax	2294.	Joichi, Yomogida, et al., 2005	60. m/0.25 mm/0.25 μm, He, 5. K/min, 240. C @ 30. min; T_start: 60. C

Normal alkane RI, polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	2366.	Loscos, Hernandez-Orte, et al., 2009	60. m/0.25 mm/0.50 μm, Helium; Program: 40 0C (3 min) 10 0C/min -> 90 0C 2 0C/min -> 230 0C (37 min)

References

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Weyerstahl, Marschall, et al., 1999
Weyerstahl, P.; Marschall, H.; Wahlburg, H.-C.; Christiansen, C.; Rustaiyan, A.; Mirdjalili, F., Constituents of the essential oil of Pulicaria gnaphalodes (Vent.) Boiss. from Iran, Flavour Fragr. J., 1999, 14, 2, 121-130, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<121::AID-FFJ790>3.0.CO;2-K . [all data]

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Hu, Liang, et al., 2010
Hu, C.-D.; Liang, Y.-Z.; Guo, F.-Q.; Li, X.-R.; Wang, W.-P., Determination of essential oil composition from Osmanthus fragrans tea by GC-MS combined with a chemometric resolution method, Molecules, 2010, 15, 5, 3683-3693, https://doi.org/10.3390/molecules15053683 . [all data]

Ouamba, Ouabonzi, et al., 2006
Ouamba, J.-M.; Ouabonzi, A.; Ekouya, A.; Bessière, J.-M.; Menut, C.; Abena, A.A.; Banzouzi, J.-T., Volatile constituents of the essential oil leaf of Lantana salvifolia Jacq. (Verbenaceae), Flavour Fragr. J., 2006, 21, 1, 158-161, https://doi.org/10.1002/ffj.1553 . [all data]

Watanabe Y., Mihara R., et al., 2005
Watanabe Y.; Mihara R.; Mitsunaga T.; Yoshimura T., Termite repellent sesquiterpenoids from Callitris glaucophylla heartwood, J. Wood Sci., 2005, 51, 5, 514-519, https://doi.org/10.1007/s10086-004-0683-6 . [all data]

Doimo, 2001
Doimo, L., Iso-citrals and iso-geraniols in lemon-myrtle (Backhousia citriodora F. Muell.) essential oils, J. Essent. Oil Res., 2001, 13, 4, 236-237, https://doi.org/10.1080/10412905.2001.9699680 . [all data]

Menon, Chacko, et al., 1999
Menon, A.N.; Chacko, S.; Narayanan, C.S., Free and glycosidically bound volatiles of cardamom (Eletteria cardamomum Maton var. miniscula Burkill), Flavour Fragr. J., 1999, 14, 1, 65-68, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<65::AID-FFJ789>3.0.CO;2-A . [all data]

Delort and Jaquier, 2009
Delort, E.; Jaquier, A., Novel terpenyl esters from Australian finger lime (Citrus australasica) peel extract, Flav. Fragr. J., 2009, 24, 3, 123-132, https://doi.org/10.1002/ffj.1922 . [all data]

Swigar and Silverstein, 1981
Swigar, A.A.; Silverstein, R.M., Monoterpenes, Aldrich Chemical Company, Milwaukee, WI, USA, 1981, 130. [all data]

Ibarz, Ferreira, et al., 2006
Ibarz, M.J.; Ferreira, V.; Hernández-Orte, P.; Loscos, N.; Cacho, J., Optimization and evaluation of a procedure for the gas chromatographic-mass spectrometric analysis of the aromas generated by fast acid hydrolysis of flavor precursors extracted from grapes, J. Chromatogr. A, 2006, 1116, 1-2, 217-229, https://doi.org/10.1016/j.chroma.2006.03.020 . [all data]

Joichi, Yomogida, et al., 2005
Joichi, A.; Yomogida, K.; Awano, K.; Ueda, Y., Volatile components of tea-scented modern roses and ancient Chinese roses, Flavour Fragr. J., 2005, 20, 2, 152-157, https://doi.org/10.1002/ffj.1388 . [all data]

Loscos, Hernandez-Orte, et al., 2009
Loscos, N.; Hernandez-Orte, P.; Cacho, J.; Ferreira, V., Fate of grape flavor precursors during storage on yeast lees, J. Agric. Food Chem., 2009, 57, 12, 5468-5479, https://doi.org/10.1021/jf804057q . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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