β-Biotol

Formula: C₁₅H₂₄O
Molecular weight: 220.3505
IUPAC Standard InChI: InChI=1S/C15H24O/c1-9-5-6-15-8-11(9)14(3,4)13(15)12(16)7-10(15)2/h10-13,16H,1,5-8H2,2-4H3/t10-,11?,12+,13?,15+/m1/s1
IUPAC Standard InChIKey: XXEZIFFYVUWPSP-GUAOBCALSA-N
Chemical structure:
This structure is also available as a 2d Mol file
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Gas Chromatography

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

Kovats' RI, non-polar column, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	DB-5	1616.	El-Ghorab, Fadel, et al., 2002	25. m/0.22 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 240. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	BP-1	1595.	Duquesnoy, Dinh, et al., 2006	50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; T_start: 60. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	BP-20	2149.	Duquesnoy, Dinh, et al., 2006	50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; T_start: 60. C

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	DB-5	1600.	Abreu and Noronha, 1997	He, 3. K/min; Column length: 30. m; Column diameter: 0.32 mm; T_start: 60. C; T_end: 250. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	OV-1	1597.	Hafez and Abdel-Salam, 2004	30. m/0.25 mm/0.25 μm, He; Program: 45 0C (4 min) 3 0C/min -> 75 0C 4 0C/min -> 115 0C 6 0C/min -> 312 0C

Normal alkane RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	2100.	Abreu and Noronha, 1997	He, 3. K/min; Column length: 30. m; Column diameter: 0.32 mm; T_start: 60. C; T_end: 250. C

References

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El-Ghorab, Fadel, et al., 2002
El-Ghorab, A.H.; Fadel, H.M.; El-Massry, K.F., The Egyptian Eucalyptus camaldulensis var. brevirostris: chemical compositions of the fruit volatile oil and antioxidant activity, Flavour Fragr. J., 2002, 17, 4, 306-312, https://doi.org/10.1002/ffj.1085 . [all data]

Duquesnoy, Dinh, et al., 2006
Duquesnoy, E.; Dinh, N.H.; Castola, V.; Casanova, J., Composition of a Pyrolytic oil from Cupressus funebris Endl. of Vietnamese origin, Flavour Fragr. J., 2006, 21, 3, 453-457, https://doi.org/10.1002/ffj.1676 . [all data]

Abreu and Noronha, 1997
Abreu, P.M.; Noronha, R.G., Volatile constituents of the rhizomes of Aframomum alboviolaceum (Ridley) K. Schum. from Guinea-Bissau, Flavour Fragr. J., 1997, 12, 2, 79-83, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<79::AID-FFJ617>3.0.CO;2-7 . [all data]

Hafez and Abdel-Salam, 2004
Hafez, S.S.; Abdel-Salam, H.A., chemical composition and antimicrobial activity of the volatile constituents of thuja occidentalis L. growing in Egipt, Alexandria J. Pharm. Sci., 2004, 18, 1, 41-47. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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