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/t11-/m1/s1
IUPAC Standard InChIKey: IGODOXYLBBXFDW-LLVKDONJSA-N
CAS Registry Number: 80-26-2
Chemical structure:
This structure is also available as a 2d Mol file
Stereoisomers:
- α-Terpinyl acetate
Other names: 3-Cyclohexene-1-methanol, α,α,4-trimethyl-, acetate; p-Menth-1-en-8-ol, acetate; α-Terpineol acetate; Terpinyl acetate; 2-(4-Methylcyclohex-3-en-1-yl)propan-2-yl acetate; 1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl acetate; 21090-64-2; 104806-93-1; 10581-37-0; α-Terpenyl acetate; Terpenyl acetate; α-Terpinenyl acetate; Terpineol acetate; terpinenyl acetate; Alpha-Terpenyl acetate; 4-Terpinyl acetate; p-menth-1-en-8-yl acetate
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Other data available:
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Normal alkane RI, non-polar column, temperature ramp

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

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5 MS	RTX-1	CP-Sil 5 CB	DB-5 MS	SPB-1
Column length (m)	60.	60.	30.	25.	30.
Carrier gas	Helium	Helium	Nitrogen	Helium	Helium
Substrate
Column diameter (mm)	0.25	0.22	0.25	0.30	0.20
Phase thickness (μm)	0.25	0.25	0.26	0.25	0.20
T_start (C)	40.	60.	45.	50.	70.
T_end (C)	250.	230.	280.	240.	220.
Heat rate (K/min)	3.	2.	3.	3.	3.
Initial hold (min)	1.
Final hold (min)	20.	45.	22.		15.
I	1351.	1327.	1335.	1353.	1328.
Reference	Sardashti, Valizadeh, et al., 2013	Yapi, Boti, et al., 2012	Mothana, Hasson, et al., 2011	Chalchat, Figueredo, et al., 2010	Neves, Rosa, et al., 2010
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5 MS	DB-5	HP-5MS	HP-5	DB-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	Helium	Helium	Helium	Helium
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.32	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25
T_start (C)	70.	45.	50.	40.	70.
T_end (C)	290.	250.	240.	240.	220.
Heat rate (K/min)	5.	3.	5.	4.	3.
Initial hold (min)		3.		4.	1.
Final hold (min)	10.	5.
I	1353.	1332.	1344.	1352.	1350.
Reference	Radulovic, Blagojevic, et al., 2010	Porto, Decorti, et al., 2009	Wannes, Mhamdi, et al., 2009	Zhannan, Shiqiong, et al., 2009	Awadi Ali, Wurster, et al., 2008
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	ZB-1	HP-5 MS	CP Sil 5 CB	HP-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	Helium	Nitrogen	Helium	N2	N2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.32	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	50.	45.	50.	60.	50.
T_end (C)	300.	230.	230.	300.	240.
Heat rate (K/min)	3.	3.	3.	4.	5.
Initial hold (min)			10.		1.
Final hold (min)	30.		10.		4.
I	1346.	1332.	1350.	1332.	1350.
Reference	Isidorov, Lech, et al., 2008	Mierendorff, Stahl-Biskup, et al., 2008	Adams, Beauchamp, et al., 2007	Baran, von Reuss, et al., 2007	Cheraif, Ben Jannet, et al., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	SE-30	HP-5	ZB-5	DB-5	SPB-5
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	He	He		Hydrogen	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	40.	40.	60.	50.	50.
T_end (C)	250.	250.	220.	250.	250.
Heat rate (K/min)	5.	5.	4.	4.	2.
Initial hold (min)	5.	5.	5.
Final hold (min)	10.	10.	20.
I	1358.	1350.	1348.	1347.	1349.
Reference	Loizzo, Tundis, et al., 2007	Loizzo, Tundis, et al., 2007	Mohottalage, Tabacchi, et al., 2007	Pontes, de Olivera, et al., 2007	Raal, Orav, et al., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5MS	HP-5MS	HP-1	HP-1	SPB-1
Column length (m)	30.	30.	50.	50.	30.
Carrier gas	He	He	He	He	Helium
Substrate
Column diameter (mm)	0.25	0.25	0.2	0.2	0.20
Phase thickness (μm)	0.25	0.25	0.5	0.33	0.20
T_start (C)	40.	40.	60.	60.	70.
T_end (C)	250.	260.	250.	250.	220.
Heat rate (K/min)	3.	4.	2.	2.	3.
Initial hold (min)	5.			4.
Final hold (min)	10.		120.	30.	15.
I	1342.	1347.3	1328.	1328.	1328.
Reference	Vichi, Riu-Aumatell, et al., 2007	Zizovic, Stamenic, et al., 2007	Castel, Fernandez, et al., 2006	Castel, Fernandez, et al., 2006	Cavaleiro, Pinto, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5MS	HP-1	CP Sil 5 CB	CP Sil 5 CB	NB-30
Column length (m)	30.	50.	30.	30.	30.
Carrier gas	He	He		N2	He
Substrate
Column diameter (mm)	0.25	0.2	0.25	0.32	0.2
Phase thickness (μm)	0.25	0.33	0.25	0.25	0.25
T_start (C)	50.	60.	40.	50.	50.
T_end (C)	250.	250.	220.	300.	250.
Heat rate (K/min)	2.	2.	3.	4.	2.
Initial hold (min)
Final hold (min)		60.	3.
I	1344.	1327.	1349.	1333.	1333.
Reference	Farah, Afifi, et al., 2006	Fernandez, Pintaric, et al., 2006	Hymete, Rohloff, et al., 2006	Lis and Milczarek, 2006	Orav, Raal, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	HP-5MS	HP-5	DB-1	DB-5
Column length (m)	50.	30.	30.	60.	30.
Carrier gas	N2	He	He		N2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	95.	40.	60.	70.	60.
T_end (C)	240.	260.	220.	230.	240.
Heat rate (K/min)	4.	4.	5.	2.	4.
Initial hold (min)			10.	2.
Final hold (min)				20.
I	1335.	1353.	1348.	1333.	1350.
Reference	Pala-Paul J., Perez-Alonso M.J., et al., 2006	Petrovic, Ristic, et al., 2006	Pintore G., Chessa M., et al., 2006	Sawamura, Onishi, et al., 2006	Trilles, Bombarda, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	SPB-1	DB-5	HP-1	DB-1
Column length (m)	25.	30.	30.	50.	25.
Carrier gas	H2	He	He	He	He
Substrate
Column diameter (mm)	0.32	0.25	0.25	0.2	0.25
Phase thickness (μm)	0.52	0.25	0.25	0.5	0.25
T_start (C)	50.	50.	40.	60.	50.
T_end (C)	280.	250.	250.	250.	250.
Heat rate (K/min)	2.5	4.	4.	2.	3.
Initial hold (min)	5.	1.			3.
Final hold (min)		10.		60.
I	1354.	1323.	1342.	1332.	1348.
Reference	Wang, Kong, et al., 2006	Wong, Sivasothy, et al., 2006	Yadegarinia, Gachkar, et al., 2006	Bendimerad and Bendiab, 2005	Cégiéla-Carlioz, Bessière, 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	HP-5MS	CP Sil 5 CB	DB-5
Column length (m)	25.	30.	30.	30.	30.
Carrier gas	He	He		He	He
Substrate
Column diameter (mm)	0.25	0.25	0.2	0.25	0.25
Phase thickness (μm)		0.25		0.25
T_start (C)	50.	60.	60.	40.	40.
T_end (C)	250.	220.	280.	220.	240.
Heat rate (K/min)	3.	4.	3.	4.	4.
Initial hold (min)	3.	5.		1.
Final hold (min)	10.
I	1352.	1349.	1349.	1349.	1314.
Reference	Ghasemi Y., Faridi P., et al., 2005	Morteza-Semnani, Akbarzadeh, et al., 2005	Petrakis, Roussis, et al., 2005	Rohloff and Bones, 2005	Sefidkon and Jamzad, 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-1	HP-5MS	CP Sil 5 CB
Column length (m)	30.	30.	50.	30.	30.
Carrier gas	He				N2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	40.	60.	40.	50.
T_end (C)	280.	210.	240.	220.	200.
Heat rate (K/min)	3.	2.	3.	3.	5.
Initial hold (min)	5.	2.		5.
Final hold (min)		33.		10.
I	1351.	1355.	1302.	1342.	1324.
Reference	Setzer, Noletto, et al., 2005	Stevanovic, Garneau, et al., 2005	Velasco-Negueruela, Pérez-Alonso, et al., 2005	Vichi, Riu-Aumatell, et al., 2005	Agnaniet, Menut, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	DB-5	SE-54	SE-54	DB-5MS
Column length (m)	60.	60.	30.	30.	30.
Carrier gas	N2	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.053	0.25
Phase thickness (μm)	0.25	0.25	0.25	1.5	0.25
T_start (C)	70.	40.	60.	100.	60.
T_end (C)	230.	280.	260.	250.	280.
Heat rate (K/min)	2.	4.	2.	5.	3.
Initial hold (min)	2.	4.	5.
Final hold (min)	20.				30.
I	1342.	1350.	1348.	1365.	1325.
Reference	Choi, 2004	Kalvandi, Sefidkon, et al., 2004	Kilic, Hafizoglu, et al., 2004	Kilic, Hafizoglu, et al., 2004	Marongiu, Piras, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BPX-5	CP Sil 8 CB	DB-1	Methyl Silicone	RTX-5Sil
Column length (m)	25.	30.	60.	12.5	30.
Carrier gas	He		He	He	He
Substrate
Column diameter (mm)	0.22	0.32	0.25	0.25	0.25
Phase thickness (μm)	1.	0.25	0.25		0.25
T_start (C)	60.	50.	70.	50.	70.
T_end (C)	250.	200.	230.	270.	200.
Heat rate (K/min)	3.	5.	2.	4.	4.
Initial hold (min)	5.	5.	2.
Final hold (min)	10.		20.		10.
I	1362.	1353.	1342.	1333.	1349.
Reference	Vilaseca, Guy, et al., 2004	Wang, Guo, et al., 2004	Choi, 2003	Curini, Bianchi, et al., 2003	Dudai, Larkov, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	DB-5	ZB-1	DB-5	HP-5
Column length (m)	60.	30.	30.	30.	30.
Carrier gas	He	He	N2	H2	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	50.	60.	45.	60.	60.
T_end (C)	250.	280.	230.	280.	280.
Heat rate (K/min)	4.	3.	3.	4.	3.
Initial hold (min)				10.
Final hold (min)		30.		40.
I	1332.	1340.	1332.	1351.	1340.
Reference	Ebrahimzadeh, Yamini, et al., 2003	Marongiu, Porcedda, et al., 2003	Mierendorff, Stahl-Biskup, et al., 2003	Pino, Marbot, et al., 2003	Pitarokili, Tzakou, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	DB-5	DB-1	DB-5	DB-1
Column length (m)	60.	30.	60.	30.	60.
Carrier gas	He	He	He	He	N2
Substrate
Column diameter (mm)	0.25	0.2	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	50.	75.	50.	60.	70.
T_end (C)	250.	220.	280.	240.	230.
Heat rate (K/min)	4.	3.	4.	3.	2.
Initial hold (min)		4.			2.
Final hold (min)					20.
I	1327.	1352.	1332.	1353.	1340.
Reference	Pourmortazavi, Sefidkon, et al., 2003	Priestap, van Baren, et al., 2003	Shahmir, Ahmadi, et al., 2003	da Silva, Luz, et al., 2003	Tu, Onishi, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	DB-5	HP-1	DB-5	HP-5
Column length (m)	60.	30.	30.	30.	30.
Carrier gas	N2	He	He	N2	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	70.	60.	70.	50.	60.
T_end (C)	230.	280.	220.	250.	275.
Heat rate (K/min)	2.	3.	3.	4.	4.
Initial hold (min)	2.
Final hold (min)	20.	30.	15.
I	1346.	1346.	1328.	1350.	1346.
Reference	Tu, Onishi, et al., 2003, 2	Caredda, Marongiu, et al., 2002	Cavaleiro, Salgueiro, et al., 2002	Farah, Fechtal, et al., 2002	Ghannadi, Sajjadi, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	RSL-200	SPB-5	DB-5	HP-5	HP-5
Column length (m)	30.	60.	30.	30.	30.
Carrier gas	H2	He	He
Substrate
Column diameter (mm)	0.32	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	50.	50.	35.	60.	60.
T_end (C)	280.	240.	280.	275.	240.
Heat rate (K/min)	6.	5.	4.	4.	3.
Initial hold (min)	5.	3.	2.	4.
Final hold (min)	5.	10.	15.
I	1333.	1335.	1356.	1342.	1356.
Reference	Jirovetz, Ngassoum, et al., 2002	Kim and Lee, 2002	Krauze-Baranowska, Mardarowicz, et al., 2002	Lockwood, Asghari, et al., 2002	Novak, Langbehn, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	SE-54	DB-1	DB-1	DB-5MS
Column length (m)	60.	30.	60.	60.	30.
Carrier gas	He	H2	He	He	He
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	40.	40.	40.	40.	60.
T_end (C)	280.	240.	280.	280.	240.
Heat rate (K/min)	4.	5.	4.	4.	3.
Initial hold (min)	5.		5.	5.
Final hold (min)					30.
I	1329.	1349.	1325.	1330.	1346.
Reference	Sefidkon, Jalili, et al., 2002	Silva A.D., Patitucci M.L., et al., 2002	Dabiri and Sefidkon, 2001	Dabiri and Sefidkon, 2001	Marongiu, Porcedda, et al., 2001
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	BP-1	OV-101	SE-30	OV-101
Column length (m)	30.	25.	50.	30.	50.
Carrier gas	N2	N2	Nitrogen	N2	N2
Substrate
Column diameter (mm)	0.22	0.33	0.25	0.25	0.2
Phase thickness (μm)	0.25	1.0		0.25
T_start (C)	70.	60.	40.	60.	80.
T_end (C)	230.	275.	200.	220.	200.
Heat rate (K/min)	4.	4.	2.	4.	1.
Initial hold (min)	2.		10.	10.
Final hold (min)	20.				20.
I	1327.	1348.	1338.	1330.	1333.
Reference	Mitiku, Sawamura, et al., 2000	Mohagheghzadeh, Shams-Ardakani, et al., 2000	Tamura, Boonbumrung, et al., 2000	Jassbi, Ahmad, et al., 1999	Menon, Chacko, et al., 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	DB-5	SPB-5	HP-5	DB-1
Column length (m)	25.	30.	50.	25.
Carrier gas	N2	He	He	He
Substrate
Column diameter (mm)		0.25	0.32	0.2
Phase thickness (μm)	0.39	0.25	0.25	0.33
T_start (C)	60.	60.	60.	70.	80.
T_end (C)	220.	240.	240.	290.	220.
Heat rate (K/min)	5.	3.	3.	3.	6.
Initial hold (min)				8.
Final hold (min)			20.	20.
I	1336.	1348.	1351.	1352.	1334.
Reference	Weyerstahl, Marschall, et al., 1999	Zoghbi, Andrade, et al., 1999	Doneanu and Anitescu, 1998	Poiana, Sicari, et al., 1998	Salgueiro, Vila, et al., 1997
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	OV-101	Methyl Silicone	Methyl Silicone	OV-101
Column length (m)	60.	50.	50.	50.	50.
Carrier gas	He	He	N2	N2
Substrate
Column diameter (mm)	0.32	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25		0.17	0.17
T_start (C)	60.	50.	80.	80.	80.
T_end (C)	220.	250.	200.	200.	200.
Heat rate (K/min)	3.	2.	2.	3.	2.
Initial hold (min)
Final hold (min)
I	1334.	1330.	1333.	1334.	1333.
Reference	Werkhoff and Güntert, 1997	Orav, Kailas, et al., 1996	Gopalakrishnan, Menon, et al., 1993	Gopalakrishnan, Menon, et al., 1993	Tamura, Yang, et al., 1993
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary
Active phase	OV-101	SE-54	OV-101
Column length (m)	50.	30.	50.
Carrier gas		Hydrogen	N2
Substrate
Column diameter (mm)	0.25	0.25	0.25
Phase thickness (μm)		0.25
T_start (C)	80.	60.	80.
T_end (C)	200.	250.	200.
Heat rate (K/min)	2.	2.	2.
Initial hold (min)		5.
Final hold (min)		2.
I	1333.	1346.	1333.
Reference	Tamura, Yang, et al., 1993	Kollmannsberger, Nitz, et al., 1992	Sugisawa, Yamamoto, et al., 1989
Comment	MSDC-RI	MSDC-RI	MSDC-RI

References

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

Sardashti, Valizadeh, et al., 2013
Sardashti, A.R.; Valizadeh, J.; Adhami, Y., Variations in the essential oil composition of Peroskia abrotonolides of different growth stage in Baluchestan, Middle-East J. Sci. Res., 2013, 13, 6, 781-784. [all data]

Yapi, Boti, et al., 2012
Yapi, T.A.; Boti, J.B.; Attioua, B.K.; Ahibo, A.C.; Bighelli, A.; Casanova, J.; Tomi, F., Three new natural compounds from the root bark essential oil from Xylopia aethiopica, Phytochem. Anal., 2012, 1-6. [all data]

Mothana, Hasson, et al., 2011
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Marongiu, Porcedda, et al., 2001
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Notes

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

Symbols used in this document:

T_end Final temperature

T_start Initial temperature
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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