α-Terpinyl acetate

Formula: C₁₂H₂₀O₂
Molecular weight: 196.2860
IUPAC Standard InChI: InChI=1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3
IUPAC Standard InChIKey: IGODOXYLBBXFDW-UHFFFAOYSA-N
CAS Registry Number: 8007-35-0
Chemical structure:
This structure is also available as a 2d Mol file
Stereoisomers:
- α-Terpinyl acetate
Other names: Menthyl-1-en-8-ol acetate; (+)-α-terpinyl acetate; α,α,4-Trimethyl-3-cyclohexene-1-methanol acetate; Terpineol, acetate; p-ment-1-en-8-yl acetate
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Gas Chromatography

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Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Van Den Dool and Kratz RI, polar column, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	CP-Wax 52CB	1679.	Kjeldsen, Christensen, et al., 2003	50. m/0.25 mm/0.2 μm, He, 32. C @ 1. min, 1. K/min; T_end: 220. C

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5 MS	1354.	Jian-Yu, Zhu, et al., 2012	30. m/0.25 mm/0.25 μm, Helium, 40. C @ 1. min, 3. K/min, 250. C @ 3. min
Capillary	HP-5	1356.	Monsef-Esfahani, Miri, et al., 2010	30. m/0.25 mm/0.25 μm, Helium, 50. C @ 5. min, 3. K/min; T_end: 240. C
Capillary	DB-5	1350.	Ali, Wurster, et al., 2008	30. m/0.25 mm/0.25 μm, Helium, 70. C @ 1. min, 3. K/min; T_end: 220. C
Capillary	HP-5	1351.	Verdian-rizi, 2008	25. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 4. K/min; T_end: 240. C
Capillary	HP-5MS	1350.	Farah, Afifi, et al., 2006	30. m/0.25 mm/0.25 μm, He, 2. K/min; T_start: 50. C; T_end: 250. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-5	1350.	Miyazaki, Plotto, et al., 2011	60. m/0.25 mm/1.00 μm, Helium; Program: 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min)
Capillary	HP-5 MS	1333.	Mancini, Arnold, et al., 2009	30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (5 min) 2 0C/min -> 270 0C -> 260 0C (20 min)
Capillary	HP-5MS	1329.	Ning, Zheng, et al., 2008	30. m/0.25 mm/0.25 μm, He; Program: 40 0C (2 min) 3 0C/min -> 180 0C (2 min) 15 0C -> 280 0C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Innowax FSC	1709.	Baser, Demirci, et al., 2009	60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C
Capillary	HP Innowax	1709.	Mancini, Arnold, et al., 2009	50. m/0.20 mm/0.25 μm, Helium; Program: 40 0C (5 min) 2 0C/min -> 270 0C -> 260 0C (20 min)

References

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Kjeldsen, Christensen, et al., 2003
Kjeldsen, F.; Christensen, L.P.; Edelenbos, M., Changes in volatile compounds of carrots (Daucus carota L.) during refrigerated and frozen storage, J. Agric. Food Chem., 2003, 51, 18, 5400-5407, https://doi.org/10.1021/jf030212q . [all data]

Jian-Yu, Zhu, et al., 2012
Jian-Yu, S.; Zhu, L.; Tian, Y.-J., Chemical composition and antimicrobial activities of essential oil of Matricaria songarica, Int. J. Agriculture Biology, 2012, 14, 1, 107-110. [all data]

Monsef-Esfahani, Miri, et al., 2010
Monsef-Esfahani, H.R.; Miri, A.; Amini, M.; Amanzadeh, Y.; Hadjiakhoondi, A.; Hajiaghaee, R.; Ajani, Y., Seasonal variations in the chemical composition, antioxidant activity and total phenolic content of Teucrium persicum Boiss. essential oils, Res. J. Biol. Sci., 2010, 5, 7, 492-498, https://doi.org/10.3923/rjbsci.2010.492.498 . [all data]

Ali, Wurster, et al., 2008
Ali, N.A.A.; Wurster, M.; Arnold, N.; Teichert, A.; Schmidt, J.; Lindequist, U.; Wessjohann, L., Chemical composition and biological activities of essential oils from the oleogum resins of three endemic soqotraen Boswellia species, Rec. Nat. Prod., 2008, 2, 1, 6-12. [all data]

Verdian-rizi, 2008
Verdian-rizi, M., Phenological variations of Laurus nobilis L. essential oil from Iran, Electronic J. Environ. Agricultural Food Chem., 2008, 7, 11, 3321-3325. [all data]

Farah, Afifi, et al., 2006
Farah, A.; Afifi, A.; Fechtal, M.; Chhen, A.; Satrani, B.; Talbi, M.; Chaouch, A., Fractional distillation effect on the chemical composition of Moroccan myrtle (Myrtus communis L.) essential oils, Flavour Fragr. J., 2006, 21, 2, 351-354, https://doi.org/10.1002/ffj.1651 . [all data]

Miyazaki, Plotto, et al., 2011
Miyazaki, T.; Plotto, A.; Goodner, K.; Gmitter F.G., Distribution of aroma volatile compounds in tangerine hybrids and proposed inheritance, J. Sci. Food Agric., 2011, 91, 3, 449-460, https://doi.org/10.1002/jsfa.4205 . [all data]

Mancini, Arnold, et al., 2009
Mancini, E.; Arnold, N.A.; De Martino, L.; De Feo, V.; Formisano, C.; Rigano, D.; Senatore, F., Chemical composition and phytotoxic effects of essential oils of Salvia hierosolymitana Boiss. and Salvia multicaulis Vahl. var. simplicifolia Boiss. growing wild in Lebanon, Molecules, 2009, 14, 11, 4725-4736, https://doi.org/10.3390/molecules14114725 . [all data]

Ning, Zheng, et al., 2008
Ning, H.; Zheng, F.; Sun, B.; Xie, J.; Liu, Y., Solvent-free microwave extraction of essential oil from Zanthoxylum bungeanum Maxim., Food Environ. Ind. (Chinese), 2008, 34, 5, 179-184. [all data]

Baser, Demirci, et al., 2009
Baser, K.H.C.; Demirci, B.; Kurkcuoglu, M.; Satin, F.; Tumen, G., Comparative morphological and phytochemical charactertization of Salvia cadmica and S. smyrnaea, Pak. J. Bot., 2009, 41, 4, 1545-1555. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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