cis-Chrysanthenol

Formula: C₁₀H₁₆O
Molecular weight: 152.2334
IUPAC Standard InChI: InChI=1S/C10H16O/c1-6-4-5-7-9(11)8(6)10(7,2)3/h4,7-9,11H,5H2,1-3H3
IUPAC Standard InChIKey: IRZWAJHUWGZMMT-UHFFFAOYSA-N
CAS Registry Number: 55722-60-6
Chemical structure:
This structure is also available as a 2d Mol file
Species with the same structure:
- trans-Chrysanthenol
Stereoisomers:
- (Z)-Chrysanthenole
- cis-chrysantheol
Other names: Bicyclo[3.1.1]hept-2-en-6-ol, 2,7,7-trimethyl-, (1α,5α,6α)-; Chrysanthenol; endo-Pin-2-en-7-ol
Information on this page:
Other data available:
- Gas Chromatography
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Normal alkane 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-5 MS	DB-5	BPX-5		CP Sil 8 CB
Column length (m)	30.	30.	30.		50.
Carrier gas	Helium	He			He
Substrate
Column diameter (mm)	0.25	0.25	0.25		0.32
Phase thickness (μm)	0.25	0.25	0.25
Program	40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C	80 0C (1 min) 3 0C/min -> 180 0C 10 0C/min -> 300 0C (3 min)	60C(0.2min) => 3K/min => 186C => 10C/min => 240C (5min)	not specified	60C(2min) => 5C/min => 160C (1min) => 10C/min => 250C (2min)
I	1161.	1162.	1162.	1143.	1162.
Reference	Sharopov, Sulaimonova, et al., 2012	Blank, Fontes, et al., 2005	Judzentiene and Mockute, 2005	El-Shazily, Hafez, et al., 2004	Judpentienë and Mockutë, 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	CP Sil 8 CB	CP Sil 8 CB	CP Sil 8 CB	CP Sil 8 CB	CP Sil 5 CB
Column length (m)	50.	50.	50.	50.	30.
Carrier gas	He	He	He	He	N2
Substrate
Column diameter (mm)	0.32	0.32	0.32	0.32	0.25
Phase thickness (μm)	0.25	0.25
Program	60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (5min)	70C(5min) => 3C/min => 100C (1min) => 25C/min => 250C (10min)	60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (2min)	60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C(2min)	not specified
I	1162.	1143.	1162.	1162.	1152.
Reference	Judpentienë and Mockutë, 2004, 2	Mockute and Judzentiene, 2003	Mockute and Judzentiene, 2002	Mockute and Judzentiene, 2002, 2	Weyerstahl, Marschall, et al., 1997
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary
Active phase	Methyl Silicone
Column length (m)
Carrier gas
Substrate
Column diameter (mm)
Phase thickness (μm)
Program	not specified
I	1150.
Reference	Vernin and Merad, 1994
Comment	MSDC-RI

References

Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes

Sharopov, Sulaimonova, et al., 2012
Sharopov, F.S.; Sulaimonova, V.A.; Setzer, W.N., Composition of the essential oil of Ertemisia absinthium from Tajikistan, Rec. Nat. Prod., 2012, 6, 2, 127-134. [all data]

Blank, Fontes, et al., 2005
Blank, A.F.; Fontes, S.M.; Carvalho Filho, J.L.S.; Alves, P.B.; Silva-Mann, R.; Mendonça, M.C.; Arrigoni-Blank, M.F.; Rodrigues, M.O., Influence of harvest times and drying of leaves on the essential oil of Melissa officinalis L. cultivated in two environments, Rev. Bras. Pl. Med., Botucatu, 2005, 8, 1, 73-78. [all data]

Judzentiene and Mockute, 2005
Judzentiene, A.; Mockute, D., The inflorescence and leaf essential oils of Tanacetum vulgare L. var. vulgare growing wild in Lithuania, Biochem. Syst. Ecol., 2005, 33, 5, 487-498, https://doi.org/10.1016/j.bse.2004.11.003 . [all data]

El-Shazily, Hafez, et al., 2004
El-Shazily, A.M.; Hafez, S.S.; Wink, M., Comparative study of the essential oils and extracts of Achillea fragrantissima (Forssk.) Sch. Bip. and Achillea santolina L. (Asteraceae) from Egypt, Pharmazie, 2004, 59, 226-230. [all data]

Judpentienë and Mockutë, 2004
Judpentienë, A.; Mockutë, D., Chemical composition of essential oils produced by pink flower inflorescences of wild Achillea millefolium L., Chemija, 2004, 15, 28-32. [all data]

Judpentienë and Mockutë, 2004, 2
Judpentienë, A.; Mockutë, D., Chemical composition of essential oils of Artemisia absinthium L. (wormwood) growing wild in Vilnius, Chemija, 2004, 15, 4, 64-68. [all data]

Mockute and Judzentiene, 2003
Mockute, D.; Judzentiene, A., The myrtenol chemotype of essential oil of Tanacetum vulgare L. var. vulgare (tansy) growing wild in the Vilnius region, Chemija, 2003, 14, 2, 103-107. [all data]

Mockute and Judzentiene, 2002
Mockute, D.; Judzentiene, A., Chemotypes of the essential oils of Achillea millefolium L. ssp. millefolium growing wild in Eastern Lithuania, Chemija, 2002, 13, 3, 168-173. [all data]

Mockute and Judzentiene, 2002, 2
Mockute, D.; Judzentiene, A., Chemical composition of the essential oils of Achillea millefolium L. ssp. millefolium (yarrow) growing wild in Vilnius, Chemija, 2002, 13, 2, 97-102. [all data]

Weyerstahl, Marschall, et al., 1997
Weyerstahl, P.; Marschall, H.; Seelmann, I.; Rustaiyan, A., Constituents of the essential oil of Achillea eriophora DC, Flavour Fragr. J., 1997, 12, 2, 71-78, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<71::AID-FFJ620>3.0.CO;2-E . [all data]

Vernin and Merad, 1994
Vernin, G.; Merad, L.O., Mass Spectra and Kovats Indices of Some New cis-Chrysanthenyl Esters Found in the Essential Oil of Artemisia herba alba from Algeria, J. Essent. Oil Res., 1994, 6, 4, 437-448, https://doi.org/10.1080/10412905.1994.9698419 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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