2,6-Octadienoic acid, 3,7-dimethyl-, (E)-

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-VQHVLOKHSA-N
CAS Registry Number: 4698-08-2
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.
Species with the same structure:
- Geranic acid
Stereoisomers:
- Neric acid
Other names: (E)-3,7-Dimethylocta-2,6-dienoic acid; Geranic acid; Geranoic acid; trans-geranic acid; trans-geranic acid (trans-3,7-dimethyl-2,6-octadien-1-oic acid); Geranilyc acid; trans-geranoic acid
Information on this page:
Other data available:
- Gas Chromatography
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Van Den Dool and Kratz RI, polar column, temperature ramp

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

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	DB-Wax	DB-Wax	DB-Wax	DB-Wax
Column length (m)	30.	30.	60.	30.	30.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.32	0.32
Phase thickness (μm)	0.25	0.25	0.5	0.5	0.5
T_start (C)	50.	40.	67.	60.	60.
T_end (C)	220.	250.	235.	245.	245.
Heat rate (K/min)	4.	3.	2.7	3.	3.
Initial hold (min)	4.			3.	3.
Final hold (min)	20.	20.	30.	20.	20.
I	2315.	2287.	2355.	2353.	2329.
Reference	Osorio, Alarcon, et al., 2006	Fanciullino, Gancel, et al., 2005	Claudela, Dirningera, et al., 2002	Wirth, Guo, et al., 2001	Bureau, Baumes, et al., 2000
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	BP-20	DB-Wax	Carbowax 20M
Column length (m)	30.	50.	25.	30.
Carrier gas		He	He	He
Substrate
Column diameter (mm)	0.32	0.22	0.25	0.25
Phase thickness (μm)	0.5	0.25	0.25	0.25
T_start (C)	60.	60.	50.	40.
T_end (C)	245.	230.	240.	240.
Heat rate (K/min)	3.	2.	4.	4.
Initial hold (min)	3.		3.	3.
Final hold (min)	20.	35.
I	2331.	2340.	2328.	2311.
Reference	Bureau, Razungles, et al., 2000	Lota, Serra, et al., 1999	Möllenbeck, König, et al., 1997	Schwab, Mahr, et al., 1989
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

References

Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, Notes

Osorio, Alarcon, et al., 2006
Osorio, C.; Alarcon, M.; Moreno, C.; Bonilla, A.; Barrios, J.; Garzon, C.; Duque, C., Characterization of Odor-Active Volatiles in Champa ( Campomanesia lineatifolia R. P.), J. Agric. Food Chem., 2006, 54, 2, 509-516, https://doi.org/10.1021/jf052098c . [all data]

Fanciullino, Gancel, et al., 2005
Fanciullino, A.-L.; Gancel, A.-L.; Froelicher, Y.; Luro, F.; Ollitrault, P.; Brillouet, J.-M., Effects of Nucleo-cytoplasmic Interactions on Leaf Volatile Compounds from Citrus Somatic Diploid Hybrids, J. Agric. Food Chem., 2005, 53, 11, 4517-4523, https://doi.org/10.1021/jf0502855 . [all data]

Claudela, Dirningera, et al., 2002
Claudela, P.; Dirningera, N.; Etievant, P., Effects of water on gas chromatographic column efficiency measurements applied to on-column injections of volatile aroma compounds, J. Sep. Sci., 2002, 25, 5-6, 365-370, https://doi.org/10.1002/1615-9314(20020401)25:5/6<365::AID-JSSC365>3.0.CO;2-Y . [all data]

Wirth, Guo, et al., 2001
Wirth, J.; Guo, W.; Baumes, R.; Günata, Z., Volatile compounds released by enzymatic hydrolysis of glycoconjugates of leaves and grape berries from Vitis vinifera muscat of Alexandria and Shiraz cultivars, J. Agric. Food Chem., 2001, 49, 6, 2917-2923, https://doi.org/10.1021/jf001398l . [all data]

Bureau, Baumes, et al., 2000
Bureau, S.M.; Baumes, R.L.; Razungles, A.J., Effects of vine or bunch shading on the glycosylated flavor precursors in grapes of Vitis vinifera L. Cv. Syrah, J. Agric. Food Chem., 2000, 48, 4, 1290-1297, https://doi.org/10.1021/jf990507x . [all data]

Bureau, Razungles, et al., 2000
Bureau, S.M.; Razungles, A.R.; Baumes, R.L., The aroma of Muscat of Frontignan grapes: effect of the light environment of vine or bunch on volatiles and glycoconjugates, J. Sci. Food Agric., 2000, 80, 14, 2012-2020, https://doi.org/10.1002/1097-0010(200011)80:14<2012::AID-JSFA738>3.0.CO;2-X . [all data]

Lota, Serra, et al., 1999
Lota, M.-L.; Serra, D.R.; Tomi, F.; Bessiere, J.-M.; Casanova, J., Chemical composition of peel and leaf essential oils of Citrus medica L. and C. limonimedica Lush., Flavour Fragr. J., 1999, 14, 3, 161-166, https://doi.org/10.1002/(SICI)1099-1026(199905/06)14:3<161::AID-FFJ801>3.0.CO;2-8 . [all data]

Möllenbeck, König, et al., 1997
Möllenbeck, S.; König, T.; Schreier, P.; Schwab, W.; Rajaonarivony, J.; Ranarivelo, L., Chemical composition and analyses of enantiomers of essential oils from Madagascar, Flavour Fragr. J., 1997, 12, 2, 63-69, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<63::AID-FFJ614>3.0.CO;2-Z . [all data]

Schwab, Mahr, et al., 1989
Schwab, W.; Mahr, C.; Schreier, P., Studies on the enzymic hydrolysis of bound aroma components from Carica papaya fruit, J. Agric. Food Chem., 1989, 37, 4, 1009-1012, https://doi.org/10.1021/jf00088a042 . [all data]

Notes

Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, References

Symbols used in this document:

T_end Final temperature

T_start Initial temperature
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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