3-Hexen-1-ol, (Z)-

Formula: C₆H₁₂O
Molecular weight: 100.1589
IUPAC Standard InChI: InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-
IUPAC Standard InChIKey: UFLHIIWVXFIJGU-ARJAWSKDSA-N
CAS Registry Number: 928-96-1
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:
- (Z)-3-Hexen-1-ol
Isotopologues:
- 3Z-hexenol-d2
Stereoisomers:
- 3-Hexen-1-ol
- 3-Hexen-1-ol, (E)-
Other names: (Z)-Hex-3-en-1-ol; cis-3-Hexen-1-ol; cis-3-Hexene-1-ol; cis-3-Hexenol; Blatteralkohol (German); Leaf alcohol; Z-3-Hexenol; 3-(Z)-Hexenol; Blatteralkohol; 3-Hexen-1-ol, cis-; 3-Hexenol, cis-; 3-(Z)-Hexen-1-ol; c-3-Hexen-1-ol; cis-Hex-3-en-1ol; cis-Hex-3-enol; Hex-3( Z)-en-1-ol; Hex-3(Z)-enol; (Z)-Hex-3-ene-1-ol; (Z)Hex-3-enol; (Z)-3-Hexen-1-ol; 3-Hexen-1-ol, (3Z)-; β,γ-Hexenol; HEXEN-30L-1; 3-Hexen-1-ol; (3Z)-3-Hexen-1-ol; cis-3-1-Hexenol
Information on this page:
Other data available:
Data at other public NIST sites:
- Gas Phase Kinetics Database
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Van Den Dool and Kratz RI, non-polar column, temperature ramp

Go To: Top, References, Notes

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

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-101	HP-5	DB-1	DB-5	HP-5
Column length (m)	25.	30.	25.	30.	30.
Carrier gas	He	He		H2	He
Substrate
Column diameter (mm)	0.2	0.25	0.2	0.25	0.25
Phase thickness (μm)	0.2	0.25	0.33	0.25	0.25
T_start (C)	70.	50.	50.	35.	50.
T_end (C)	200.	250.	300.	270.	250.
Heat rate (K/min)	3.	4.	4.	5.	4.
Initial hold (min)	2.	4.			5.
Final hold (min)	15.	10.		20.	15.
I	838.	857.	872.	857.	864.
Reference	Politeo, Jukic, et al., 2007	Quijano, Salamanca, et al., 2007	Osorio, Alarcon, et al., 2006	Alves, Pinto, et al., 2005	Mahattanatawee, Goodner, 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-5MS	HP-5	HP-5MS	RSL-200
Column length (m)	30.	60.	30.	30.	30.
Carrier gas	He	He	He	He	H2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.32
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	40.	40.	50.	40.
T_end (C)	250.	200.	250.	300.	280.
Heat rate (K/min)	4.	2.	3.	5.	6.
Initial hold (min)	2.			5.	5.
Final hold (min)	20.	20.			5.
I	857.	875.	860.	851.	873.
Reference	Pino, Mesa, et al., 2005	Seo and Baek, 2005	Isidorov, Krajewska, et al., 2004	Mumm, Tiemann, et al., 2004	Ngassoum, Ousmaila, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	SPB-5	SPB-5	BP-1	DB-5MS	HP-1
Column length (m)	30.	30.	30.	30.	50.
Carrier gas	He	He	N2	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.25	0.2
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.33
T_start (C)	60.	60.	60.	40.	60.
T_end (C)	250.	250.	220.	200.	250.
Heat rate (K/min)	4.	4.	5.	4.	2.
Initial hold (min)	2.	2.		5.	5.
Final hold (min)	20.	20.	13.	20.	20.
I	860.	858.	838.	861.	837.
Reference	Píno, Marbot, et al., 2004	Pino, Marbot, et al., 2004	Raina, Kumar, et al., 2004	Yu, Kim, et al., 2004	Cavalli, Fernandez, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-1	HP-1	Ultra-2	SPB-1	HP-5
Column length (m)	50.	50.	25.	25.	30.
Carrier gas	He	He	H2		N2
Substrate
Column diameter (mm)	0.2	0.2	0.25	0.25	0.25
Phase thickness (μm)	0.33	0.33	0.33	0.25	0.25
T_start (C)	60.	60.	40.	35.	60.
T_end (C)	250.	250.	280.	225.	220.
Heat rate (K/min)	2.	2.	3.	4.	5.
Initial hold (min)	5.	5.	2.	10.	10.
Final hold (min)	20.	20.	10.
I	834.	834.	861.	837.	853.
Reference	Cavalli, Fernandez, et al., 2003	Cavalli, Fernandez, et al., 2003	Ceva-Antunes, Bizzo, et al., 2003	Chisholm, Wilson, et al., 2003	Flamini, Luigi Cioni, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5MS	CP Sil 5 CB	HP-5	SPB-5	CP Sil 5 CB
Column length (m)	60.	60.	30.	30.	30.
Carrier gas	He	He	He	He	H2
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.	60.	40.	60.	60.
T_end (C)	310.	280.	240.	250.	280.
Heat rate (K/min)	3.	3.	3.	4.	2.
Initial hold (min)	1.	10.		2.	10.
Final hold (min)	20.	60.		20.	40.
I	854.	827.	853.	850.	828.
Reference	Lalel, Singh, et al., 2003	Pino, Almora, et al., 2003	Shellie and Marriott, 2003	Pino, Marbot, et al., 2002	Pino, Marbot, et al., 2002, 2
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	CP Sil 5 CB	SPB-1	HP-1	HP-5	CP Sil 5 CB
Column length (m)	50.	15.	60.	50.	50.
Carrier gas	He		He	He	He
Substrate
Column diameter (mm)	0.32	0.25	0.25	0.25	0.32
Phase thickness (μm)	0.4	0.25	0.25	0.25	0.4
T_start (C)	60.	35.	50.	50.	60.
T_end (C)	280.	225.	250.	250.	280.
Heat rate (K/min)	3.	6.	2.5	2.5	3.
Initial hold (min)	10.	3.	5.	5.	10.
Final hold (min)	60.	10.			60.
I	828.	845.	841.	855.	827.
Reference	Pino, Marbot, et al., 2002, 3	Chisholm, Wilson, et al., 2001	Guilliard, Delgado, et al., 2001	Guilliard, Delgado, et al., 2001	Pino and Marbot, 2001
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	HP-5MS	DB-1	HP-5
Column length (m)	50.	30.	30.	30.	30.
Carrier gas	He	He	He	H2	He
Substrate
Column diameter (mm)	0.32	0.25	0.25	0.32	0.25
Phase thickness (μm)	0.4	0.25	0.25	0.25	0.25
T_start (C)	60.	35.	60.	40.	40.
T_end (C)	280.	280.	280.	245.	200.
Heat rate (K/min)	3.	5.3	4.	3.	2.
Initial hold (min)	10.		5.	3.	5.
Final hold (min)	60.	5.		20.	20.
I	828.	855.0	857.	843.	854.
Reference	Pino, Marbot, et al., 2001	Siegmund, Derler, et al., 2001	Skaltsa, Mavrommati, et al., 2001	Brat, Brillouet, et al., 2000	Kim, Thuy, et al., 2000
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-5MS	DB-1	Methyl Silicone
Column length (m)	30.	30.	30.	60.	50.
Carrier gas	He		H2		N2
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.32	0.25
Phase thickness (μm)	0.25	0.25	0.25	1.	0.17
T_start (C)	40.	40.	40.	-50.	80.
T_end (C)	200.	280.	200.	175.	200.
Heat rate (K/min)	2.	3.	2.	6.	2.
Initial hold (min)	5.	4.		2.
Final hold (min)	20.
I	859.	849.	848.	840.3	850.
Reference	Kim, Thuy, et al., 2000	Ruther, 2000	Chassagne, Boulanger, et al., 1999	Helmig, Klinger, et al., 1999	Sumathykutty, Rao, 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	OV-1	SPB-1	DB-5	DB-1
Column length (m)	25.	25.	60.	30.	25.
Carrier gas	He		N2	H2	He
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.25	0.2
Phase thickness (μm)		0.3	0.25		0.11
T_start (C)	60.	50.	40.	60.	50.
T_end (C)	260.	200.	200.	220.	250.
Heat rate (K/min)	5.	3.	4.	2.	5.
Initial hold (min)		1.		3.
Final hold (min)		20.	20.
I	840.	849.	836.	854.	839.
Reference	Weyerstahl, Marschall, et al., 1999	Bicchi, Rubiolo, et al., 1998	Chen, Huang, et al., 1998	Sakho, Chassagne, et al., 1997	Warthen, Lee, 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	DB-1	DB-1	DB-1	DB-1
Column length (m)	25.	60.	30.	30.	60.
Carrier gas	He	He	N2	N2	H2
Substrate
Column diameter (mm)	0.2	0.25	0.32	0.32	0.25
Phase thickness (μm)	0.11	0.25	0.25	0.25	0.25
T_start (C)	50.	50.	150.	150.	50.
T_end (C)	250.	250.	280.	280.	250.
Heat rate (K/min)	5.	3.5	3.	3.	2.5
Initial hold (min)		5.			5.
Final hold (min)
I	841.	840.	853.	853.	832.
Reference	Warthen, Lee, et al., 1997	Stashenko, Prada, et al., 1996	Coen, Engel, et al., 1995	Coen, Engel, et al., 1995	Stashenko, Villa, et al., 1995
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-101	DB-5	SPB-1	OV-101	OV-101
Column length (m)	50.	30.	15.	50.	50.
Carrier gas	N2	He	He	N2	N2
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.25	0.25
Phase thickness (μm)			0.25
T_start (C)	70.	50.	35.	80.	80.
T_end (C)	200.	250.	250.	200.	200.
Heat rate (K/min)	3.	4.	6.	2.	2.
Initial hold (min)			3.
Final hold (min)
I	860.	849.	854.	834.	836.
Reference	Chung, Eiserich, et al., 1993	Gómez, Ledbetter, et al., 1993	Chisholm and Samuels, 1992	Yang, Sugisawa, et al., 1992	Yang, Sugisawa, et al., 1992
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	DB-5	OV-1	OV-1
Column length (m)	60.	0.32	50.	183.
Carrier gas	He	H2	H2
Substrate
Column diameter (mm)	0.25	1.	0.2	0.762
Phase thickness (μm)	0.25
T_start (C)	40.	30.	50.	0.
T_end (C)	280.	180.	200.	230.
Heat rate (K/min)	2.	1.5	2.	1.
Initial hold (min)	3.	5.
Final hold (min)	10.		55.
I	844.	855.	825.	848.
Reference	Adedeji, Hartman, et al., 1991	Guichard and Souty, 1988	Wu and Liou, 1986	Schreyen, Dirinck, et al., 1976
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

References

Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, Notes

Politeo, Jukic, et al., 2007
Politeo, O.; Jukic, M.; Milos, M., Chemical composition and antioxidant capacity of free volatile aglycones from basil (Ocimum basilicum L.) compared with its essential oil, Food Chem., 2007, 101, 1, 379-385, https://doi.org/10.1016/j.foodchem.2006.01.045 . [all data]

Quijano, Salamanca, et al., 2007
Quijano, C.E.; Salamanca, G.; Pino, J.A., Aroma volatile constituents of Colombian varieties of mango (Mangifera indica L.), Flavour Fragr. J., 2007, 22, 5, 401-406, https://doi.org/10.1002/ffj.1812 . [all data]

Osorio, Alarcon, et al., 2006
Osorio, C.; Alarcon, M.; Moreno, C.; Bonilla, A.; Barrios, J.; Garzon, C.; Duque, C., Characterization of Odor-Active Volatiles in Champa ( Campomanesia lineatifolia R. P.), J. Agric. Food Chem., 2006, 54, 2, 509-516, https://doi.org/10.1021/jf052098c . [all data]

Alves, Pinto, et al., 2005
Alves, R.J.V.; Pinto, A.C.; da Costa, A.V.M.; Rezende, C.M., Zizyphus mauritiana Lam. (Rhamnaceae) and the chemical composition of its floral fecal odor, J. Braz. Chem. Soc., 2005, 16, 3B, 654-656, https://doi.org/10.1590/S0103-50532005000400027 . [all data]

Mahattanatawee, Goodner, et al., 2005
Mahattanatawee, K.; Goodner, K.L.; Baldwin, E.A., Volatile constituents and character impact compounds of selected Florida's tropical fruit, Proc. Fla. State Hort. Soc., 2005, 118, 414-418. [all data]

Pino, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R., Volatile components from mango (Mangifera indica L.) cultivars, J. Agric. Food Chem., 2005, 53, 6, 2213-2223, https://doi.org/10.1021/jf0402633 . [all data]

Seo and Baek, 2005
Seo, W.H.; Baek, H.H., Identification of characteristic aroma-active compounds from water dropword (Oenanthe javanica DC.), J. Agric. Food Chem., 2005, 53, 17, 6766-6770, https://doi.org/10.1021/jf050150z . [all data]

Isidorov, Krajewska, et al., 2004
Isidorov, V.A.; Krajewska, U.; Vinogorova, V.T.; Vetchinnikova, L.V.; Fuksman, I.L.; Bal, K., Gas chromatographic analysis of essential oil from buds of different birch species with preliminary partition of components, Biochem. Syst. Ecol., 2004, 32, 1, 1-13, https://doi.org/10.1016/S0305-1978(03)00175-3 . [all data]

Mumm, Tiemann, et al., 2004
Mumm, R.; Tiemann, T.; Schulz, S.; Hilker, M., Analysis of volatiles from black pine (Pinus nigra): significance of wounding and egg deposition by a herbivorous sawfly, Phytochemistry, 2004, 65, 24, 3221-3230, https://doi.org/10.1016/j.phytochem.2004.10.010 . [all data]

Ngassoum, Ousmaila, et al., 2004
Ngassoum, M.B.; Ousmaila, H.; Ngamo, L.T.; Maponmetsem, P.M.; Jirovetz, L.; Buchbauer, G., Aroma compounds of essential oils of two varieties of the spice plant Ocimum canum Sims from northern Cameroon, J. Food Comp. Anal., 2004, 17, 2, 197-204, https://doi.org/10.1016/j.jfca.2003.08.002 . [all data]

Píno, Marbot, et al., 2004
Píno, J.A.; Marbot, R.; Vázquez, C., Volatile components of the fruits of Vangueria madagascariensis J. F. Gmel. from Cuba, J. Essent. Oil Res., 2004, 16, 4, 302-304, https://doi.org/10.1080/10412905.2004.9698727 . [all data]

Pino, Marbot, et al., 2004
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C., Volatile constituents of Malay rose apple [Syzygium malaccense (L.) Merr. Perry], Flavour Fragr. J., 2004, 19, 1, 32-35, https://doi.org/10.1002/ffj.1269 . [all data]

Raina, Kumar, et al., 2004
Raina, V.K.; Kumar, A.; Srivastava, S.K.; Syamsundar, K.V.; Kahol, A.P., Essential oil composition of 'kewda' (Pandanus odoratissimus) from India, Flavour Fragr. J., 2004, 19, 5, 434-436, https://doi.org/10.1002/ffj.1331 . [all data]

Yu, Kim, et al., 2004
Yu, E.J.; Kim, T.H.; Kim, K.H.; Lee, H.J., Characterization of aroma-active compounds of Abies nephrolepis (Khingan fir) needles using aroma extract dilution analysis, Flavour Fragr. J., 2004, 19, 1, 74-79, https://doi.org/10.1002/ffj.1314 . [all data]

Cavalli, Fernandez, et al., 2003
Cavalli, J.-F.; Fernandez, X.; Lizzani-Cuvelier, L.; Loiseau, A.-M., Comparison of static headspace, headspace solid phase microextraction, headspace sorptive extraction, and direct thermal desorption techniques on chemical composition of French olive oils, J. Agric. Food Chem., 2003, 51, 26, 7709-7716, https://doi.org/10.1021/jf034834n . [all data]

Ceva-Antunes, Bizzo, et al., 2003
Ceva-Antunes, P.M.N.; Bizzo, H.R.; Alves, S.M.; Antunes, O.A.C., Analysis of volatile compounds of taperebá (Spondias mombin L.) and Cajá (Spondias mombin L.) by simultaneous distillation and extraction (SDE) and solid phase microextraction (SPME), J. Agric. Food Chem., 2003, 51, 5, 1387-1392, https://doi.org/10.1021/jf025873m . [all data]

Chisholm, Wilson, et al., 2003
Chisholm, M.G.; Wilson, M.A.; Gaskey, G.M., Characterization of aroma volatiles in key lime essential oils (Cirtrus aurantifolia Swingle), Flavour Fragr. J., 2003, 18, 2, 106-115, https://doi.org/10.1002/ffj.1172 . [all data]

Flamini, Luigi Cioni, et al., 2003
Flamini, G.; Luigi Cioni, P.; Morelli, I., Differences in the fragrances of pollen, leaves, and floral parts of garland (Chrysanthemum coronarium) and composition of the essential oils from flowerheads and leaves, J. Agric. Food Chem., 2003, 51, 8, 2267-2271, https://doi.org/10.1021/jf021050l . [all data]

Lalel, Singh, et al., 2003
Lalel, H.J.D.; Singh, Z.; Chye Tan, S., Glycosidically-bound aroma volatile compounds in the skin and pulp of 'Kensington Pride' mango fruit at different stages of maturity, Postharvest Biol. Technol., 2003, 29, 2, 205-218, https://doi.org/10.1016/S0925-5214(02)00250-8 . [all data]

Pino, Almora, et al., 2003
Pino, J.; Almora, K.; Marbot, R., Volatile components of papaya (Carica papaya L., maradol variety) fruit, Flavour Fragr. J., 2003, 18, 6, 492-496, https://doi.org/10.1002/ffj.1248 . [all data]

Shellie and Marriott, 2003
Shellie, R.A.; Marriott, P.J., Comprehensive two-dimensional gas chromatography-mass spectrometry analysis of Pelargonium graveolens essential oil using rapid scanning quadrupole mass spectrometry, Analyst, 2003, 128, 7, 879-883, https://doi.org/10.1039/b304371a . [all data]

Pino, Marbot, et al., 2002
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Pino, Marbot, et al., 2002, 2
Pino, J.A.; Marbot, R.; Bello, A., Volatile compounds of Psidium salutare (H.B.K.) Berg. fruit, J. Agric. Food Chem., 2002, 50, 18, 5146-5148, https://doi.org/10.1021/jf0116303 . [all data]

Pino, Marbot, et al., 2002, 3
Pino, J.A.; Marbot, R.; Vázquez, C., Characterization of volatile in Cosa Rican Guava [Psidium friedrichsthalianum (Berg) Niedenzu] fruit, J. Agric. Food Chem., 2002, 50, 21, 6023-6026, https://doi.org/10.1021/jf011456i . [all data]

Chisholm, Wilson, et al., 2001
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Guilliard, Delgado, et al., 2001
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Pino and Marbot, 2001
Pino, J.A.; Marbot, R., Volatile flavor constituents of acerola (Malpighia emarginata DC.) fruit, J. Agric. Food Chem., 2001, 49, 12, 5880-5882, https://doi.org/10.1021/jf010270g . [all data]

Pino, Marbot, et al., 2001
Pino, J.A.; Marbot, R.; Vázquez, C., Characterization of volatiles in strawberry guava (Psidium cattleianum Sabine) fruit, J. Agric. Food Chem., 2001, 49, 12, 5883-5887, https://doi.org/10.1021/jf010414r . [all data]

Siegmund, Derler, et al., 2001
Siegmund, B.; Derler, K.; Pfannhauser, W., Changes in the aroma of a strawberry drink during storage, J. Agric. Food Chem., 2001, 49, 7, 3244-3252, https://doi.org/10.1021/jf010116u . [all data]

Skaltsa, Mavrommati, et al., 2001
Skaltsa, H.D.; Mavrommati, A.; Constantinidis, T., A chemotaxonomic investigation of volatile constituents in Stachys subsect. Swainsonianeae (Labiatae), Phytochemistry, 2001, 57, 2, 235-244, https://doi.org/10.1016/S0031-9422(01)00003-6 . [all data]

Brat, Brillouet, et al., 2000
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Notes

Go To: Top, Van Den Dool and Kratz 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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