(1S,3S,4S,5R)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-ol

Formula: C₁₀H₁₈O
Molecular weight: 154.2493
IUPAC Standard InChI: InChI=1S/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3
IUPAC Standard InChIKey: DZVXRFMREAADPP-UHFFFAOYSA-N
CAS Registry Number: 7712-79-0
Chemical structure:
This structure is also available as a 2d Mol file
Species with the same structure:
- Bicyclo[3.1.0]hexan-3-ol, 4-methyl-1-(1-methylethyl)-, [1S-(1α,3α,4α,5α)]-
- Bicyclo[3.1.0]hexan-3-ol, 4-methyl-1-(1-methylethyl)-
Stereoisomers:
Other names: Bicyclo[3.1.0]hexan-3-ol, 4-methyl-1-(1-methylethyl)-, (1S,3S,4S,5R)-; 3-Thujanol, (1S,3S,4S,5R)-(+)-; Bicyclo[3.1.0]hexan-3-ol, 4-methyl-1-(1-methylethyl)-, [1S-(1α,3α,4β,5α)]-; (+)-3-Thujanol; (+)-Isothujol; 3-Thujanol, (+)-; Isothujol, (+)-; iso-3-Thujanol
Information on this page:
Other data available:
- Gas Chromatography
Options:
- Switch to calorie-based units

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	Polydimethyl siloxane with 5 % Ph groups	BPX-5	CP Sil 8 CB	CP Sil 8 CB	SE-30
Column length (m)	30.	30.	50.	50.
Carrier gas	Helium	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.32
Phase thickness (μm)	0.25	0.25	0.25	0.25
Program	50 0C 4 0C/min -> 200 0C (5 min) 20 0C/min -> 280 0C	50C => 3C/min => 150C(10min) => 10C/min => 250C	60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (5min)	60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (5min)	not specified
I	1137.	1142.	1138.	1133.	1110.
Reference	da Silva, de Souza, et al., 2012	Salamci, Kordali, et al., 2007	Judzentiene and Buzelyte, 2006	Judpentienë and Mockutë, 2004	Vinogradov, 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary
Active phase	SE-30
Column length (m)
Carrier gas
Substrate
Column diameter (mm)
Phase thickness (μm)
Program	not specified
I	1138.
Reference	Vinogradov, 2004
Comment	MSDC-RI

References

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

da Silva, de Souza, et al., 2012
da Silva, A.C.; de Souza, P.E.; Machado, J. daC.; da Silva, B.M.; Pinto, J.E.B.P., Effectiveness of essential oils in the treatment of Colletotrichum truncatum-infected soybean seeds, Tropical Plant Patology, 2012, 37, 5, 305-313, https://doi.org/10.1590/S1982-56762012000500001 . [all data]

Salamci, Kordali, et al., 2007
Salamci, E.; Kordali, S.; Kotan, R.; Cakir, A.; Kaya, Y., Chemical compositions, antimicrobial and herbicidal effects of essential oils isolated from Turkish Tanacetum aucheranum and Tanacetum chiliophyllum var. chiliophyllum, Biochem. Syst. Ecol., 2007, 35, 9, 569-581, https://doi.org/10.1016/j.bse.2007.03.012 . [all data]

Judzentiene and Buzelyte, 2006
Judzentiene, A.; Buzelyte, J., Chemical composition of essential oils of Artemisia vulgaris L. (mugwort) from North Lithuania, Chemija, 2006, 17, 1, 12-15. [all data]

Judpentienë and Mockutë, 2004
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]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Notes

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

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
Customer support for NIST Standard Reference Data products.