trans-Linalool oxide (furanoid)

Formula: C₁₀H₁₈O₂
Molecular weight: 170.2487
IUPAC Standard InChI: InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3/t8-,10+/m1/s1
IUPAC Standard InChIKey: BRHDDEIRQPDPMG-SCZZXKLOSA-N
CAS Registry Number: 34995-77-2
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:
Stereoisomers:
Other names: 2-Furanmethanol, 5-ethenyltetrahydro-α,α,5-trimethyl-, trans-; trans-5-Ethenyltetrahydro-α,α,5-trimethyl-2-furanmethanol; 2-(5-Methyl-5-vinyltetrahydro-2-furanyl)-2-propanol, trans-; (E)-Furan linalool oxide; E-Furanoid linalool oxide; (E)-Linalool furanoxide; (E)-Linalool oxide A; E-Linalool oxide (furan); (E)-Linalool oxide, furanoid; Linalool oxide A (trans-THF); Linalool oxide II (trans, furanoid); Linalool oxide, trans-furanoid; Linalool oxide (trans-THF); t-Furan linalool oxide; trans-Furanic linalool oxid; trans-Furanic linalool oxide; trans-Furan linalool oxide; trans-Linalool furanoid oxide; trans-Linalool furanoxide; trans-Linalool oxide; trans-Linalool oxide (f); trans-Linalool oxide furan; trans-Linalool oxide (furanoid form); trans-Linalool oxide (furan type); trans-Linalool oxide (furanyl ring); trans-Linalool oxide (THF); 2-Furanmethanol, 5-ethenyltetrahydro-α,α,5-trimethyl-, (2R,5R)-rel-; Linalool A oxide; Linalool oxide 2; Linalool oxide A; Linalool oxide II; trans-2-Methyl-2-vinyl-5-(1-hydroxy-1-methylethyl)tetrahydrofuran; trans-2-Vinyl-2-methyl-5-(1-hydroxy-1-methylethyl)tetrahydrofuran; trans-f-Linalool oxide; trans-Furanoid linalool oxide; trans-Linalool 3,6-oxide; Linalool oxide, trans; trans-α,α,5-Trimethyl-5-vinyltetrahydrofurfuryl alcohol; 2-((2R,5R)-5-Methyl-5-vinyltetrahydrofuran-2-yl)propan-2-ol; (E)-Linalool oxide; trans-Linalol oxide (furanoid); trans-Linalol oxide; (E)-Linalol furanoxide; trans-Linalol oxide (f); trans-Linalol oxide fur.; t-Linalool oxide; (E)-Linalol oxide (furanoid); linalool oxide furanoside I; (E)-linalol oxide; trans-5-Trimethyl-2-furanmethanol; Trans linalol furanoxide; linalool oxide A (2-methyl-2-vinyl- 5-(2-hydroxy -2-propyl)-tetrahydrofuran; Linalool oxide 1; tetrahydro-α,α,5-trimethyl-5-vinylfuran-2-methanol
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Other data available:
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Kovats' RI, non-polar column, custom temperature program

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

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5MS	HP-5	BP-1	HP-1	SPB-1
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	He	He	N2	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.25	0.32
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
Program	40C(3min) => 3C/min => 160C => 10C/min => 200C	40C (3min) => 3C/min => 180C => 30C/min => 270C (5min)	60C => 5.5C/min => 220C => 3.5C/min => 245C	35C => 2C/min => 100C => 5C/min => 230C(2min)	40C(3min) => 2C/min => 100C => 4C/min => 220C (7min)
I	1076.	1073.	1074.	1082.	1073.
Reference	Alissandrakis E., Tarantilis P.A., et al., 2007	Daferera, Ziogas, et al., 2003	Rao, Kaul, et al., 2003	Wongpornchai, Sriseadka, et al., 2003	Borse, Jagan Mohan Rao, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

References

Go To: Top, Kovats' RI, non-polar column, custom temperature program, Notes

Alissandrakis E., Tarantilis P.A., et al., 2007
Alissandrakis E.; Tarantilis P.A.; Harizanis P.C.; Polissiou M., Comparison of the volatile composition in thyme honeys from several origins in Greece, J. Agric. Food Chem., 2007, 55, 20, 8152-8157, https://doi.org/10.1021/jf071442y . [all data]

Daferera, Ziogas, et al., 2003
Daferera, D.J.; Ziogas, B.N.; Polissiou, M.G., The effectiveness of plant essential oils on the growth of Botrytis cinerea, Fusarium sp. and Clavibacter michiganensis subsp. michiganensis, Crop Prot., 2003, 22, 1, 39-44, retrieved from http://www.elsevier.com/gej-ng/10/25/40/84/25/31/article.pdf, https://doi.org/10.1016/S0261-2194(02)00095-9 . [all data]

Rao, Kaul, et al., 2003
Rao, B.R.R.; Kaul, P.N.; Syamasundar, K.V.; Ramesh, S., Comparative composition of decanted and recovered essential oils of Eucalyptus citriodora Hook, Flavour Fragr. J., 2003, 18, 2, 133-135, https://doi.org/10.1002/ffj.1157 . [all data]

Wongpornchai, Sriseadka, et al., 2003
Wongpornchai, S.; Sriseadka, T.; Choonvisase, S., Identification and quantitation of the rice aroma compound, 2-acetyl-1-pyrroline, in bread flowers (Vallaris glabra Ktze), J. Agric. Food Chem., 2003, 51, 2, 457-462, https://doi.org/10.1021/jf025856x . [all data]

Borse, Jagan Mohan Rao, et al., 2002
Borse, B.B.; Jagan Mohan Rao, L.; Nagalakshmi, S.; Krishnamurthy, N., Fingerprint of black teas from India: identification of the regio-specific characteristics, Food Chem., 2002, 79, 4, 419-424, https://doi.org/10.1016/S0308-8146(02)00191-7 . [all data]

Notes

Go To: Top, Kovats' RI, non-polar column, custom temperature program, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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