3-Hexen-1-ol, acetate, (E)-

Formula: C₈H₁₄O₂
Molecular weight: 142.1956
IUPAC Standard InChI: InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4+
IUPAC Standard InChIKey: NPFVOOAXDOBMCE-SNAWJCMRSA-N
CAS Registry Number: 3681-82-1
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:
- 3-Hexenyl acetate
Isotopologues:
- 3E-hexenyl-d3 acetate
Stereoisomers:
- 3-Hexen-1-ol, acetate, (Z)-
Other names: (3E)-Hexenyl acetate; (E)-3-Hexen-1-ol acetate; (E)-3-Hexen-1-yl acetate; (E)-3-Hexenol acetate; (E)-3-Hexenyl acetate; (E)-Hex-3-enol acetate; trans-3-Hexen-1-ol, acetate; trans-3-Hexenyl acetate; (3E)-3-Hexenyl acetate; (E)-hex-3-enyl acetate
Information on this page:
Other data available:
- Mass spectrum (electron ionization)
- Gas Chromatography
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Normal alkane RI, non-polar column, custom temperature program

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

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	DB-5	SE-30	DB-1	DB-5
Column length (m)	30.	30.		60.	30.
Carrier gas		Helium		N2	He
Substrate
Column diameter (mm)	0.25	0.25		0.32	0.25
Phase thickness (μm)	0.25	0.50		0.25	0.25
Program	50C(1min) => 5C/min => 100C => 10C/min => 250C (9min)	35 0C (6 min) 5 0C/min -> 50 0C 2 0C/min -> 70 0C 3 0C/min -> 150 0C 5 0C/min -> 200 0C	not specified	40 0C (10 min) 40 - 80 0C at 2 0C/min 80 - 200 0C at 5 0C/min 200 0C (10 min)	60C => 3C/min => 240C => 30C/min => 300C
I	1018.	1003.	997.	988.	1004.
Reference	Beaulieu and Lancaster, 2007	Soares, Pereira, et al., 2007	Vinogradov, 2004	Yen and Lin, 1999	Yusuf, Begum, et al., 1998
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

References

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

Beaulieu and Lancaster, 2007
Beaulieu, J.C.; Lancaster, V.A., Correlating Volatile Compounds, Sensory Attributes, and Quality Parameters in Stored Fresh-Cut Cantaloupe, J. Agric. Food Chem., 2007, 55, 23, 9503-9513, https://doi.org/10.1021/jf070282n . [all data]

Soares, Pereira, et al., 2007
Soares, F.D.; Pereira, T.; Marques, M.O.M.; Monteiro, A.R., Volatile and Non-volatile Chemical Composition of the White Guava fruit (Psidium guaiava) at different Stages of Maturity, Food Chem., 2007, 100, 1, 15-21, retrieved from http://www.aseanfood.info/Articles/11016448.pdf, https://doi.org/10.1016/j.foodchem.2005.07.061 . [all data]

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

Yen and Lin, 1999
Yen, G.-C.; Lin, H.-T., Changes in volatile flavor components of guava juice with high-pressure treatment and heat processing and during storage, J. Agric. Food Chem., 1999, 47, 5, 2082-2087, https://doi.org/10.1021/jf9810057 . [all data]

Yusuf, Begum, et al., 1998
Yusuf, M.; Begum, J.; Mondello, L.; Stagno d'Alcontres, I.S., Studies on the essential oil bearing plants of Bangladesh. Part VI. Composition of the oil of Ocimum gratissimum L., Flavour Fragr. J., 1998, 13, 3, 163-166, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<163::AID-FFJ714>3.0.CO;2-1 . [all data]

Notes

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

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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