p-Mentha-1,8-dien-7-yl acetate

Formula: C₁₂H₁₈O₂
Molecular weight: 194.2701
IUPAC Standard InChI: InChI=1S/C12H18O2/c1-9(2)12-6-4-11(5-7-12)8-14-10(3)13/h4,12H,1,5-8H2,2-3H3
IUPAC Standard InChIKey: WTXBCFKGCNWPLS-UHFFFAOYSA-N
CAS Registry Number: 15111-96-3
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.
Other names: 1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-, acetate; (4-Isopropenyl-1-cyclohexen-1-yl)methyl acetate; Cyclohex-1-ene-1-methanol-4-(1-methylethenyl)-acetate; Dihydrocuminyl acetate; Perilla acetate; Perillyl acetate; p-Mentha-1,8-dien-7-ol, acetate; 4-(1-Methylvinyl)cyclohex-1-ene-1-methyl acetate; Perilla alcohol, acetate; (4-(Prop-1-en-2-yl)cyclohex-1-en-1-yl)methyl acetate
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Other data available:
- Mass spectrum (electron ionization)
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Gas Chromatography

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

Kovats' RI, polar column, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	1900.	Umano, Hagi, et al., 1994	He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_end: 200. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	1436.1	Andriamaharavo, 2014	30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)

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

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Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	1905.	Choi, 2005	60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
Capillary	DB-Wax	1902.	Njoroge, Koaze, et al., 2005	60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
Capillary	DB-Wax	1899.	Choi, Kim. M.-S.L., et al., 2002	60. m/0.25 mm/0.25 μm, N2, 2. K/min, 230. C @ 20. min; T_start: 70. C
Capillary	DB-Wax	1912.	Choi and Sawamura, 2000	60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	CP Sil 5 CB	1421.	Hnawia, Cabalion, et al., 2007	30. m/0.25 mm/0.25 μm, N2, 5. K/min; T_start: 50. C; T_end: 200. C
Capillary	DB-1	1405.	Lan Phi N.T., Nishiyama C., et al., 2006	60. m/0.25 mm/0.25 μm, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
Capillary	DB-1	1406.	Lan Phi N.T., Nishiyama C., et al., 2006	60. m/0.25 mm/0.25 μm, 70. C @ 2. min, 2. K/min, 230. C @ 20. min

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

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Column type	Active phase	I	Reference	Comment
Capillary	SE-30	1418.	Vinogradov, 2004	Program: not specified
Capillary	SE-30	1419.	Vinogradov, 2004	Program: not specified
Capillary	Methyl Silicone	1419.	Zenkevich, 1999	Program: not specified

Normal alkane RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	1901.	Lan Phi N.T., Nishiyama C., et al., 2006	60. m/0.25 mm/0.25 μm, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
Capillary	DB-Wax	1900.	Lan Phi N.T., Nishiyama C., et al., 2006	60. m/0.25 mm/0.25 μm, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
Capillary	DB-Wax	1905.	Sawamura, Onishi, et al., 2006	60. m/0.25 mm/0.25 μm, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
Capillary	DB-Wax	1902.	Njoroge, Koaze, et al., 2005, 2	60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
Capillary	DB-Wax	1902.	Njoroge, Koaze, et al., 2005, 3	60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
Capillary	DB-Wax	1910.	Choi, 2004	60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
Capillary	DB-Wax	1916.	Choi, 2004, 2	60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
Capillary	DB-Wax	1919.	Tu, Onishi, et al., 2003	60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min

Normal alkane RI, polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	Carbowax 20M	1900.	Vinogradov, 2004	Program: not specified
Capillary	Innowax	1916.	Baser, Kürkcüoglu, et al., 1998	60. m/0.25 mm/0.25 μm; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C

References

Go To: Top, Gas Chromatography, Notes

Umano, Hagi, et al., 1994
Umano, K.; Hagi, Y.; Tamura, T.; Shoji, A.; Shibamoto, T., Identification of volatile compounds isolated from round kumquat (Fortunella japonica Swingle), J. Agric. Food Chem., 1994, 42, 9, 1888-1890, https://doi.org/10.1021/jf00045a011 . [all data]

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Choi, 2005
Choi, H.-S., Characteristic odor components of kumquat (Fortunella japonica Swingle) peel oil, J. Agric. Food Chem., 2005, 53, 5, 1642-1647, https://doi.org/10.1021/jf040324x . [all data]

Njoroge, Koaze, et al., 2005
Njoroge, S.M.; Koaze, H.; Karanja, P.N.; Sawamura, M., Volatile Constituents of Redblush Grapefruit ( Citrus paradisi) and Pummelo ( Citrus grandis) Peel Essential Oils from Kenya, J. Agric. Food Chem., 2005, 53, 25, 9790-9794, https://doi.org/10.1021/jf051373s . [all data]

Choi, Kim. M.-S.L., et al., 2002
Choi, H.-S.; Kim. M.-S.L.; Sawamura, M., Constituents of the essential oil of cnidium officinale Makino, a Korean medicinal plant, Flavour Fragr. J., 2002, 17, 1, 49-53, https://doi.org/10.1002/ffj.1038 . [all data]

Choi and Sawamura, 2000
Choi, H.-S.; Sawamura, M., Composition of the essential oil of Citrus tamurana Hort. ex Tanaka (Hyuganatsu), J. Agric. Food Chem., 2000, 48, 10, 4868-4873, https://doi.org/10.1021/jf000651e . [all data]

Hnawia, Cabalion, et al., 2007
Hnawia, E.; Cabalion, P.; Raunicher, I.; Waikedre, J.; Patissou, J.; Buchbauer, G.; Menut, C., The leaf essential oil of Murraya crenulata (Turcz.) Oliver from New Caledonia, Flavour Fragr. J., 2007, 22, 1, 32-34, https://doi.org/10.1002/ffj.1745 . [all data]

Lan Phi N.T., Nishiyama C., et al., 2006
Lan Phi N.T.; Nishiyama C.; Choi H.-S.; Sawamura M., Evaluation of aroma characteristic compounds of Citrus natsudaidai Hayata (Natsudaidai) cold-pressed peel oil, Biosci. Biotechnol. Biochem., 2006, 70, 8, 1832-1838, https://doi.org/10.1271/bbb.50705 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Zenkevich, 1999
Zenkevich, I.G., Analytical Parameters of Components of essential Oils for their Gas Chromatographic and Chromato-Mass-Spectral Identification. Acetates of Terpene Alcohols, Rastitelnye Resursy (Plant Resources), 1999, 35, 1, 30-37. [all data]

Sawamura, Onishi, et al., 2006
Sawamura, M.; Onishi, Y.; Ikemoto, J.; Tu, N.T.M.; Phi, N.T.L., Characteristic odour components of bergamot (Citrus bergamia Risso) essential oil, Flavour Fragr. J., 2006, 21, 4, 609-615, https://doi.org/10.1002/ffj.1604 . [all data]

Njoroge, Koaze, et al., 2005, 2
Njoroge, S.M.; Koaze, H.; Mwaniki, M.; Minh Tu, N.T.; Sawamura, M., Essential oils of Kenyan Citrus fruits: volatile components of two varieties of mandarins (Citrus reticulata) and a tangelo (C. paradisi × C. tangerina), Flavour Fragr. J., 2005, 20, 1, 74-79, https://doi.org/10.1002/ffj.1376 . [all data]

Njoroge, Koaze, et al., 2005, 3
Njoroge, S.M.; Koaze, H.; Karanja, P.N.; Sawamura, M., Essential oil constituents of three varieties of Kenyan sweet oranges (Citrus sinensis), Flavour Fragr. J., 2005, 20, 1, 80-85, https://doi.org/10.1002/ffj.1377 . [all data]

Choi, 2004
Choi, H.-S., Volatile constituents of satsuma mandarins growing in Korea, Flavour Fragr. J., 2004, 19, 5, 406-412, https://doi.org/10.1002/ffj.1283 . [all data]

Choi, 2004, 2
Choi, H.-S., Aroma evaluation of an aquatic herb, changpo (Acorus calamus Var. angustatus Bess), by AEDA and SPME, J. Agric. Food Chem., 2004, 52, 26, 8099-8104, https://doi.org/10.1021/jf040239p . [all data]

Tu, Onishi, et al., 2003
Tu, N.T.M.; Onishi, Y.; Son, U.S.; Ogawa, E.; Ukeda, H.; Sawamura, M., Characteristic odour components of Citrus inflata Hort. Ex Tanaka (Mochiyu) cold-pressed peel oil, Flavour Fragr. J., 2003, 18, 5, 454-459, https://doi.org/10.1002/ffj.1252 . [all data]

Baser, Kürkcüoglu, et al., 1998
Baser, K.H.C.; Kürkcüoglu, M.; Aytac, Z., Composition of the essential oil of Salvia euphratica Montbret ex Bentham var. euphratica from Turkey, Flavour Fragr. J., 1998, 13, 1, 63-64, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<63::AID-FFJ694>3.0.CO;2-Z . [all data]

Notes

Go To: Top, Gas Chromatography, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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