Bicyclo[3.1.1]heptane-2-methanol, 6,6-dimethyl-, (1α,2α,5α)-

Formula: C₁₀H₁₈O
Molecular weight: 154.2493
IUPAC Standard InChI: InChI=1S/C10H18O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h7-9,11H,3-6H2,1-2H3
IUPAC Standard InChIKey: LDWAIHWGMRVEFR-UHFFFAOYSA-N
CAS Registry Number: 15358-91-5
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:
- Bicyclo[3.1.1]heptane-2-methanol, 6,6-dimethyl-
Stereoisomers:
- cis-Myrtanol
- Bicyclo[3.1.1]heptane-2-methanol, 6,6-dimethyl-, [1S-(1α,2α,5α)]-
Other names: trans-Myrtanol; (E)-Myrtanol; (1α,2α,5α)-6,6-dimethylbicyclo[3.1.1]heptane-2-methanol
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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	DB-5	1262.	Javidnia, Miri, et al., 2003	He, 4. 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	1262.4	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)
Capillary	SE-52	1256.	Mondello, Dugo, et al., 1995	60. m/0.32 mm/0.40 μm, He; Program: 45 C (6 min) 3 C/min -> 111 0C 2 C/min -> 160 C 3 C/min -> 300 C (15 min)

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

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Column type	Active phase	I	Reference	Comment
Capillary	Carbowax 20M	1847.	Mondello, Dugo, et al., 1995	60. m/0.32 mm/0.425 μm, He, 45. C @ 3. min, 3. K/min, 300. C @ 20. min

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

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Column type	Active phase	I	Reference	Comment
Capillary	CB-1	1249.	Kannaste, Vongvanich, et al., 2008	30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (2 min) 4 0C/min -> 180 0C 20 0C/min -> 220 0C (1 min)
Capillary	CB-1	1240.	Kannaste, Vongvanich, et al., 2008	30. m/0.25 mm/0.25 μm, Helium; Program: not specified

References

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Javidnia, Miri, et al., 2003
Javidnia, K.; Miri, R.; Azarpira, A.; Tabaei, S.M.H., Composition of the essential oil of Stachys setifera C.A. Mey ssp. iranica growing in Iran, Flavour Fragr. J., 2003, 18, 4, 299-300, https://doi.org/10.1002/ffj.1165 . [all data]

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

Mondello, Dugo, et al., 1995
Mondello, L.; Dugo, P.; Basile, A.; Dugo, G., Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixtures, J. Microcolumn Sep., 1995, 7, 6, 581-591, https://doi.org/10.1002/mcs.1220070605 . [all data]

Kannaste, Vongvanich, et al., 2008
Kannaste, A.; Vongvanich, N.; Borg-Karlson, A.-K., Infestation by a Nalepella species induces emissions of alpha- and beta-farnesenes, (-)-linalool and aromatic compounds in Norway spruce clones of different susceptibility to the large pine weevil, Anthropod-Plant Interactions, 2008, 2, 1, 31-41, https://doi.org/10.1007/s11829-008-9029-4 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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