neo-Isothujan-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/t7-,8+,9+,10-/m0/s1
- IUPAC Standard InChIKey: DZVXRFMREAADPP-JLIMGVALSA-N
- CAS Registry Number: 21653-19-0
- 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. - Stereoisomers:
- neo-Thujan-3-ol
- 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)-, (1α,3β,4β,5α)-
- Thujol
- Bicyclo[3.1.0]hexan-3-ol, 4-methyl-1-(1-methylethyl)-
- (1S,3S,4S,5R)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-ol
- cis-Thujanol
- Iso-3-Thujol
- Neo-3-Thujol
- Neo iso-3-Thujol
- neo-iso-Thujanol
- iso-3-Thujanol
- Other names: neo-iso-3-Thujanol; 3-neoisothujanol; Neoisothujol
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Gas Chromatography
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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 | 1139. | Batista-Pereira, Fernandes, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 3. K/min; Tend: 240. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-30 | 1158. | Vinogradov, 2004 | Program: not specified |
| Capillary | SE-30 | 1132. | Vinogradov, 2004 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1662. | Vinogradov, 2004 | Program: not specified |
| Capillary | Carbowax 20M | 1635. | Vinogradov, 2004 | Program: not specified |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Batista-Pereira, Fernandes, et al., 2006
Batista-Pereira, L.G.; Fernandes, J.B.; Correa, A.G.; da Silva, M.F.G.F.; Vieira, P.C.,
Electrophysiological responses of eucalyptus brown looper Thyrinteina arnobia to essential oils of seven Eucalyptus species,
J. Braz. Chem. Soc., 2006, 17, 3, 555-561, https://doi.org/10.1590/S0103-50532006000300019
. [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
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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