Menthyl acetate
- Formula: C12H22O2
- Molecular weight: 198.3019
- IUPAC Standard InChI: InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12-/m1/s1
- IUPAC Standard InChIKey: XHXUANMFYXWVNG-ADEWGFFLSA-N
- CAS Registry Number: 89-48-5
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1α,2β,5α)-; Menthol, acetate, cis-1,3,trans-1,4-; 2-Isopropyl-5-methylcyclohexyl acetate, (1α,2β,5α)-; (+/-)-Menthol acetate; Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1R,2S,5R)-rel-
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, 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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | NIST Mass Spectrometry Data Center, 1994 |
| NIST MS number | 134065 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), 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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | SE-30 | 120. | 1279. | Tudor and Moldovan, 1999 | |
| Capillary | SE-30 | 100. | 1279.2 | Tudor, 1997 | 40. m/0.35 mm/0.35 μm |
| Packed | Apiezon L | 150. | 1255. | ter Heide, 1968 | N2, Embacel; Column length: 2.5 m |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-1 | 1285. | Srivastava, Ahmad, et al., 2003 | 25. m/0.55 mm/0.25 μm, N2, 5. K/min, 220. C @ 15. min; Tstart: 60. C |
| Capillary | BP-1 | 1280. | Rao B.R.R., 2002 | 25. m/0.5 mm/0.25 μm, 5. K/min, 220. C @ 10. min; Tstart: 60. C |
| Capillary | OV-101 | 1267. | von Poser, Menut, et al., 1996 | 25. m/0.25 mm/0.25 μm, N2, 5. K/min; Tstart: 50. C; Tend: 200. C |
| Capillary | OV-1 | 1283. | Bicchi, Frattini, et al., 1988 | 23. m/0.32 mm/0.3 μm, H2, 3. K/min; Tstart: 50. C; Tend: 200. C |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-1 | 1278. | Dwivedi, Khan, et al., 2004 | 25. m/0.25 mm/0.25 μm, N2; Program: 60C => 5C/min => 220C(5min) => 3C/min => 245C(5min) |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Carbowax 20M | 150. | 1600. | ter Heide, 1968 | N2, Embacel; Column length: 2.5 m |
Kovats' RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax-20M | 1540. | Bicchi, Frattini, et al., 1988 | 23. m/0.32 mm/0.30 μm, H2, 50. C @ 1. min, 3. K/min; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1294. | Dob, Dahmane, et al., 2005 | 30. m/0.32 mm/0.25 μm, 50. C @ 8. min, 2. K/min; Tend: 250. C |
| Capillary | DB-5 | 1294. | Tampieri, Galuppi, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | DB-5 | 1294. | Javidnia, Miri, et al., 2002 | He, 4. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 275. C |
| Capillary | CP Sil 5 CB | 1281. | Pino and Marbot, 2001 | 50. m/0.32 mm/0.4 μm, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min |
| Capillary | BPX-5 | 1304. | Zabaras and Wyllie, 2001 | 50. m/0.22 mm/0.25 μm, H2, 60. C @ 5. min, 4. K/min, 180. C @ 5. min |
| Capillary | DB-1 | 1276.8 | Tóth and Praszna, 1998 | 30. m/0.32 mm/0.32 μm, Ar, 3.9 K/min; Tstart: 60. C; Tend: 210. C |
| Capillary | DB-1 | 1288.2 | Tóth and Praszna, 1998 | 30. m/0.32 mm/0.32 μm, Ar, 3.9 K/min; Tstart: 60. C; Tend: 210. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-52 | 1294. | Mondello, Dugo, et al., 1995 | 60. m/0.32 mm/0.40 μm, He; Program: 45 C (6 min) 3 C/min -> 111 0C 2 C/min -> 160 C 3 C/min -> 300 C (15 min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | FFAP | 1535. | Agnihotri, Agarwal, et al., 2005 | 20. m/0.25 mm/0.25 μm, He, 90. C @ 2. min, 4. K/min; Tend: 220. C |
| Capillary | AT-Wax | 1551. | Pino and Marbot, 2001 | 60. m/0.32 mm/0.25 μm, He, 65. C @ 10. min, 2. K/min, 250. C @ 60. min |
| Capillary | Carbowax 20M | 1561. | Mondello, Dugo, et al., 1995 | 60. m/0.32 mm/0.425 μm, He, 45. C @ 3. min, 3. K/min, 300. C @ 20. min |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1295. | Bertoli, Lepnardi, et al., 2011 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | HP-5 MS | 1297. | Radulovic, Blagojevic, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C |
| Capillary | DB-5 | 1300. | Baranauskiene R., Bylaite E., et al., 2007 | 50. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 5. K/min, 280. C @ 10. min |
| Capillary | HP-5MS | 1294.7 | Zizovic, Stamenic, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 260. C |
| Capillary | DB-1 | 1281. | Tohar, Mohd, et al., 2006 | 30. m/0.32 mm/0.25 μm, 60. C @ 3. min, 3. K/min, 230. C @ 10. min |
| Capillary | Methyl Silicone | 1302. | Tonzibo, Coffy, et al., 2006 | 25. m/0.3 mm/0.15 μm, N2, 50. C @ 5. min, 2. K/min; Tend: 210. C |
| Capillary | PE-5 | 1278. | Singh, Raina, et al., 2005 | 30. m/0.32 mm/0.25 μm, H2, 60. C @ 2. min, 5. K/min, 230. C @ 4. min |
| Capillary | PE-5 | 1310. | Singh, Raina, et al., 2005 | 30. m/0.32 mm/0.25 μm, H2, 60. C @ 2. min, 5. K/min, 230. C @ 4. min |
| Capillary | DB-5 | 1299. | Edris and Farrag, 2003 | He, 3. K/min; Column length: 60. m; Column diameter: 0.32 mm; Tstart: 50. C; Tend: 220. C |
| Capillary | OV-101 | 1277. | Orav and Kann, 2001 | He, 2. K/min; Column length: 50. m; Column diameter: 0.2 mm; Tstart: 50. C; Tend: 250. C |
| Capillary | OV-1 | 1279. | Oberhofer, Nikiforov, et al., 1999 | 25. m/0.25 mm/0.25 μm, H2, 40. C @ 5. min, 3. K/min, 220. C @ 5. min |
| Capillary | BP-1 | 1286. | Rao, Bhattacharya, et al., 1999 | N2, 5. K/min, 220. C @ 10. min; Column length: 25. m; Column diameter: 0.5 mm; Tstart: 60. C |
| Capillary | DB-5 | 1287. | Reverchon, Porta, et al., 1997 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 2. K/min; Tend: 250. C |
| Capillary | DB-1 | 1279. | Werkhoff and Güntert, 1997 | 60. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 220. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SPB-1 | 1263. | Díaz-Maroto, Castillo, et al., 2007 | 50. m/0.25 mm/0.25 μm; Program: 70C(3min) => 4C/min => 120C => 8C/min => 250C(5min) |
| Capillary | SE-52 | 1295. | Tognolini, Barocelli, et al., 2006 | 30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min) |
| Capillary | SE-30 | 1281. | Vinogradov, 2004 | Program: not specified |
| Capillary | Methyl Silicone | 1281. | Zenkevich, 1999 | Program: not specified |
| Capillary | DB-1 | 1278. | Baratta, Dorman, et al., 1998 | 30. m/0.25 mm/0.25 μm, He; Program: 45C => 3C/min => 175C => 15C/min => 240C (10min) |
| Capillary | DB-5 | 1294. | Isidorov, Zenkevich, et al., 1997 | Program: not specified |
| Capillary | OV-101 | 1281. | Shibamoto, 1987 | Column length: 60. m; Column diameter: 0.25 mm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP-Wax | 1539. | Ka, Choi, et al., 2005 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min; Tend: 180. C |
| Capillary | PEG-20M | 1560. | Orav and Kann, 2001 | He, 2. K/min; Column length: 50. m; Column diameter: 0.2 mm; Tstart: 70. C; Tend: 220. C |
| Capillary | BP-20 | 1540. | Rao, Bhattacharya, et al., 1999 | N2, 5. K/min; Column length: 25. m; Column diameter: 0.5 mm; Tstart: 60. C; Tend: 200. C |
| Capillary | HP-Innowax FSC | 1574. | Baser, Kirimer, et al., 1997 | He, 60. C @ 10. min, 4. K/min, 240. C @ 10. min; Column length: 60. m; Column diameter: 0.25 mm |
| Capillary | DB-Wax | 1563. | Werkhoff and Güntert, 1997 | 60. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 220. C |
| Capillary | TC-Wax | 1562. | Shuichi, Masazumi, et al., 1996 | 80. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 240. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1556. | Wenguang, Wenlai, et al., 2007 | 30. m/0.25 mm/0.25 μm; Program: 40 0C (3 min) 3 0C/min -> 150 0C (2 min) 6 0C/min -> 230 0C (10 min) |
| Capillary | Carbowax 20M | 1585. | Vinogradov, 2004 | Program: not specified |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Tudor and Moldovan, 1999
Tudor, E.; Moldovan, D.,
Temperature Dependence of the Retention Index for Perfumery Compounds on a Se-30 Glass Capillary Column. II. The Hyperbolic Equation,
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Tudor, 1997
Tudor, E.,
Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equations,
J. Chromatogr. A, 1997, 779, 1-2, 287-297, https://doi.org/10.1016/S0021-9673(97)00453-6
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ter Heide, 1968
ter Heide, R.,
Studies on terpenes. II. Characterization of monoterpene esters by gas and thin-layer chromatography,
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Srivastava, Ahmad, et al., 2003
Srivastava, S.K.; Ahmad, A.; Syamsunder, K.V.; Aggarwal, K.K.; Shanuja, S.P.S.,
Essential oil composition of Callistemon viminalis leaves from India,
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Rao B.R.R., 2002
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Biomass yield, essential oil yield and essential oil composition of rose-scented geranium (Pelargonium species) as influenced by row spacings and intercropping with cornmint (Mentha arvensis L.f. piperascens Malinv. ex Holmes),
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Shibamoto, T.,
Retention Indices in Essential Oil Analysis
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Baser, Kirimer, et al., 1997
Baser, K.H.C.; Kirimer, N.; Duman, H.,
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Shuichi, H.; Masazumi, N.; Hiromu, K.; Kiyoshi, F.,
Comparison of volatile compounds berween the crude drugs, Onji-tsutsu and Onji-niki,
Nippon nogei kagaku kaishi, 1996, 70, 2, 151-160. [all data]
Wenguang, Wenlai, et al., 2007
Wenguang, J.; Wenlai, F.; Yan, X.; Guangao, Z.; Jiming, L.; Ying, Y.,
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. [all data]
Notes
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