Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-, (1α,2α,5α)-
- Formula: C10H18O
- Molecular weight: 154.2493
- IUPAC Standard InChIKey: KXSDPILWMGFJMM-UHFFFAOYSA-N
- CAS Registry Number: 17699-16-0
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: (1R,2R,5S)-5-Isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol; trans-Sabinene hydrate (trans for Me vs IP); trans-Sabinene hydrate; trans-Sabinene hydroxide; Sabinene hydrate, trans; 5-Isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol, (1α,2α,5α)-; (1α,2α,5α)-2-Methyl-5-(1-methylethyl)bicyclo(3.1.0)hexan-2-ol; trans-4-Thujanol; cis-Sabinene hydrate (cis for OH vs IP); 15826-83-2; cis-Sabinene hydrate; trans-Sabinenhydrate; Sabinene hydrate-cis; cis-Sabinene hydroxide
- Information on this page:
- Other data available:
- Options:
Kovats' RI, non-polar column, temperature ramp
Go To: Top, References, Notes
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
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | HP-5MS | HP-5MS | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.26 | 0.26 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 60. | 60. | 60. |
Tend (C) | 246. | 246. | 280. | 280. | |
Heat rate (K/min) | 3. | 3. | 2. | 2. | 3. |
Initial hold (min) | 8. | 8. | |||
Final hold (min) | 30. | 30. | |||
I | 1068. | 1097. | 1075. | 1101. | 1070. |
Reference | Adams, González Elizondo, et al., 2006 | Adams, González Elizondo, et al., 2006 | Hazzit, Baaliouamer, et al., 2006 | Hazzit, Baaliouamer, et al., 2006 | Lucero, Fredrickson, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BP-1 | BP-1 | DB-5 | DB-5 | DB-5 |
Column length (m) | 25. | 25. | 30. | 30. | 30. |
Carrier gas | N2 | N2 | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.26 | 0.26 | 0.26 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 60. | 60. | 60. |
Tend (C) | 220. | 220. | 246. | 246. | 246. |
Heat rate (K/min) | 5. | 5. | 3. | 3. | 3. |
Initial hold (min) | |||||
Final hold (min) | 13. | 13. | |||
I | 1096. | 1070. | 1070. | 1068. | 1097. |
Reference | Raina, Verma, et al., 2006 | Raina, Verma, et al., 2006 | Adams, Morris, et al., 2005 | Adams and Nguyen, 2005 | Adams and Nguyen, 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5MS | HP-5MS | BP-5 | BP-5 | DB-5 |
Column length (m) | 30. | 30. | 50. | 50. | 30. |
Carrier gas | He | He | He | He | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 50. | 50. | 50. | 50. | 60. |
Tend (C) | 250. | 250. | 260. | 260. | 255. |
Heat rate (K/min) | 3. | 3. | 5. | 5. | 3. |
Initial hold (min) | 10. | 10. | 2. | 2. | |
Final hold (min) | 5. | 5. | 5. | 5. | |
I | 1071. | 1097. | 1099. | 1070. | 1069. |
Reference | Asuming, Beauchamp, et al., 2005 | Asuming, Beauchamp, et al., 2005 | Baranauskiene, Venskutonis, et al., 2005 | Baranauskiene, Venskutonis, et al., 2005 | Medina, Lucero, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5MS | DB-5 | DB-5 | BPX-5 | HP-5 |
Column length (m) | 30. | 30. | 30. | 25. | 30. |
Carrier gas | He | H2 | H2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.22 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 50. | 40. | 40. | 60. | 60. |
Tend (C) | 240. | 280. | 280. | 240. | 260. |
Heat rate (K/min) | 3. | 4. | 4. | 3. | 3. |
Initial hold (min) | |||||
Final hold (min) | 30. | 30. | |||
I | 1043. | 1069. | 1107. | 1093. | 1070. |
Reference | Tepe, Sokmen, et al., 2005 | Avato, Raffo, et al., 2004 | Avato, Raffo, et al., 2004 | El-Ghorab, Mansour, et al., 2004 | Lopes, Strobl, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | HP-5 | HP-5MS | HP-5 | HP-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 1. | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 40. | 60. | 60. | 60. |
Tend (C) | 260. | 250. | 280. | 280. | 280. |
Heat rate (K/min) | 3. | 5. | 3. | 3. | 3. |
Initial hold (min) | 1. | ||||
Final hold (min) | |||||
I | 1099. | 1076. | 1045. | 1058. | 1093. |
Reference | Lopes, Strobl, et al., 2004 | Bouzouita, Kachouri, et al., 2003 | Gkinis, Tzakou, et al., 2003 | Özcan, Tzakou, et al., 2003 | Özcan, Tzakou, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-30 | SE-30 | BP-1 | BP-1 | BP-1 |
Column length (m) | 25. | 25. | 60. | 60. | 25. |
Carrier gas | He | He | N2 | N2 | N2 |
Substrate | |||||
Column diameter (mm) | 0.22 | 0.22 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 70. | 70. | 60. | 60. | 60. |
Tend (C) | 220. | 220. | 220. | 220. | 220. |
Heat rate (K/min) | 4. | 4. | 5. | 5. | 5. |
Initial hold (min) | |||||
Final hold (min) | 15. | ||||
I | 1083. | 1056. | 1094. | 1061. | 1091. |
Reference | Palá-Paúl, Velasco-Negueruela, et al., 2002 | Palá-Paúl, Velasco-Negueruela, et al., 2002 | Raina, Lal, et al., 2002 | Raina, Lal, et al., 2002 | Raina, Srivastava, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BP-1 | BP-1 | BP-1 | BP-1 | BP-1 |
Column length (m) | 25. | 25. | 25. | 30. | 30. |
Carrier gas | N2 | N2 | N2 | N2 | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.5 | 0.5 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 60. | 60. | 60. |
Tend (C) | 220. | 220. | 220. | 220. | 220. |
Heat rate (K/min) | 5. | 5. | 5. | 5. | 5. |
Initial hold (min) | |||||
Final hold (min) | 15. | 10. | 10. | 13. | 13. |
I | 1062. | 1060. | 1060. | 1086. | 1051. |
Reference | Raina, Srivastava, et al., 2002 | Rajeswara Rao, 2002 | Rao B.R.R., 2002 | Shawl, Srivastava, et al., 2002 | Shawl, Srivastava, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | HP-5 | DB-1 | HP-5 | SE-54 |
Column length (m) | 25. | 25. | 50. | 30. | 30. |
Carrier gas | H2 | H2 | N2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.26 |
Phase thickness (μm) | 0.52 | 0.52 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 40. | 80. | 60. | 60. |
Tend (C) | 240. | 240. | 225. | 280. | 246. |
Heat rate (K/min) | 4. | 4. | 4. | 3. | 3. |
Initial hold (min) | |||||
Final hold (min) | |||||
I | 1068. | 1097. | 1073. | 1067. | 1068. |
Reference | Kitic, Palic, et al., 2001 | Kitic, Palic, et al., 2001 | Palá-Paúl, Velasco-Negueruela, et al., 2001 | Tzakou and Couladis, 2001 | Adams, 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-54 | DB-5 | DB-5 | SE-54 | SE-54 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.26 | 0.26 | 0.26 | 0.26 | 0.26 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 60. | 60. | 60. |
Tend (C) | 246. | 240. | 240. | 246. | 246. |
Heat rate (K/min) | 3. | 3. | 3. | 3. | 3. |
Initial hold (min) | |||||
Final hold (min) | |||||
I | 1097. | 1068. | 1097. | 1068. | 1097. |
Reference | Adams, 2000 | Adams, 2000, 2 | Adams, 2000, 2 | Adams, 2000, 3 | Adams, 2000, 3 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | SE-30 | DB-5 | DB-5 |
Column length (m) | 30. | 30. | 25. | 30. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.26 | 0.26 | 0.22 | 0.26 | 0.26 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 70. | 60. | 60. |
Tend (C) | 246. | 246. | 220. | 246. | 246. |
Heat rate (K/min) | 3. | 3. | 5. | 3. | 3. |
Initial hold (min) | |||||
Final hold (min) | |||||
I | 1068. | 1097. | 1052. | 1068. | 1097. |
Reference | Adams, 2000, 4 | Adams, 2000, 4 | Kardali, Velasco-Negueruela, et al., 2000 | Adams, 1999 | Adams, 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP Sil 5 CB | HP-5 | DB-5 | DB-5 | BP-1 |
Column length (m) | 25. | 30. | 30. | 30. | 50. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.33 | 0.25 | 0.25 | |
Tstart (C) | 60. | 60. | 40. | 60. | 60. |
Tend (C) | 280. | 280. | 260. | 240. | 260. |
Heat rate (K/min) | 5. | 4. | 2. | 3. | 2. |
Initial hold (min) | 5. | ||||
Final hold (min) | 20. | ||||
I | 1059. | 1065. | 1116. | 1064. | 1091. |
Reference | Kaul, Gujral, et al., 1999 | Sajjadi and Ghassemi, 1999 | Senatore and de Feo, 1999 | da Silva, Andrade, et al., 1999 | Vera and Chane-Ming, 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BP-1 | BP-1 | BP-1 | Methyl Silicone | Methyl Silicone |
Column length (m) | 50. | 50. | 50. | 30. | 30. |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 60. | 60. | 60. |
Tend (C) | 260. | 260. | 260. | 250. | 250. |
Heat rate (K/min) | 2. | 2. | 2. | 2. | 2. |
Initial hold (min) | 2. | 2. | |||
Final hold (min) | 5. | 5. | |||
I | 1092. | 1078. | 1085. | 1065. | 1096. |
Reference | Vera and Chane-Ming, 1999 | Vera and Chane-Ming, 1999 | Vera and Chane-Ming, 1999 | Adegoke, Rao, et al., 1998 | Adegoke, Rao, et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BP-1 | BP-1 | DB-5 | DB-5 | OV-101 |
Column length (m) | 50. | 50. | 30. | 30. | 50. |
Carrier gas | He | He | He | He | N2 |
Substrate | |||||
Column diameter (mm) | 0.22 | 0.22 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 1. | 1. | 0.25 | 0.25 | 0.2 |
Tstart (C) | 50. | 50. | 60. | 60. | 80. |
Tend (C) | 220. | 220. | 240. | 240. | 200. |
Heat rate (K/min) | 3. | 3. | 3. | 3. | 2. |
Initial hold (min) | |||||
Final hold (min) | 60. | ||||
I | 1090. | 1060. | 1069. | 1096. | 1064. |
Reference | Breheret, Talou, et al., 1997 | Breheret, Talou, et al., 1997 | Tellez, Estell, et al., 1997 | Tellez, Estell, et al., 1997 | Padrayuttawat, Tamura, et al., 1996 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | SPB-1 |
Column length (m) | 50. |
Carrier gas | He |
Substrate | |
Column diameter (mm) | 0.20 |
Phase thickness (μm) | |
Tstart (C) | 35. |
Tend (C) | 200. |
Heat rate (K/min) | 3. |
Initial hold (min) | 5. |
Final hold (min) | 20. |
I | 1073. |
Reference | Wong and Tie, 1993 |
Comment | MSDC-RI |
References
Go To: Top, Kovats' RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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Adams, R.P.,
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Adams, 2000, 2
Adams, R.P.,
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Adams, 2000, 3
Adams, R.P.,
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Adams, 2000, 4
Adams, R.P.,
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. [all data]
Notes
Go To: Top, Kovats' RI, non-polar column, temperature ramp, References
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