1-Octen-3-yl-acetate

Formula: C₁₀H₁₈O₂
Molecular weight: 170.2487
IUPAC Standard InChI: InChI=1S/C10H18O2/c1-4-6-7-8-10(5-2)12-9(3)11/h5,10H,2,4,6-8H2,1,3H3
IUPAC Standard InChIKey: DOJDQRFOTHOBEK-UHFFFAOYSA-N
CAS Registry Number: 2442-10-6
Chemical structure:
This structure is also available as a 2d Mol file
Other names: 1-Octen-3-ol, acetate; Amyl vinyl carbinol acetate; Amyl vinyl carbinyl acetate; 1-Pentylallyl acetate; 1-Octenyl-3-acetate; Oct-1-en-3-yl acetate; Octen-3-yl acetate; 1-Oct-3-enylacetate
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Other data available:
- Mass spectrum (electron ionization)
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Van Den Dool and Kratz 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	VF-5MS	SE-52	DB-1	SE-52	SE-52
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	He	He	He	He	H2
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.52	0.32
Phase thickness (μm)	0.25	0.15	0.25	0.15	0.42
Program	Multi-step temperature program; T(initial)=60C; T(final)=270C	45C => 1C/min => 100C => 5C/min => 250C(10min)	35C => 2C/min => 200C => 5C/min => 240C	45C => 1C/min => 100C => 5C/min => 250C (10min)	60C(8min) => 3C/min => 180C => 20C/min => 250C(10min)
I	1104.9	1114.	1097.	1113.	1115.
Reference	Tret'yakov, 2008	Bruni, Bianchi, et al., 2007	Suliman F.E.O., Fatope M.O., et al., 2006	Sacchetti, Medici, et al., 2004	Lorenzo, Paz, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

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Tret'yakov, 2008
Tret'yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [all data]

Bruni, Bianchi, et al., 2007
Bruni, R.; Bianchi, A.; Bellardi, M.G., Essential oil composition of Agastache anethiodora Britton (Lamiaceae) infected by cucumber mosaic virus (CMV), Flavour Fragr. J., 2007, 22, 1, 66-70, https://doi.org/10.1002/ffj.1760 . [all data]

Suliman F.E.O., Fatope M.O., et al., 2006
Suliman F.E.O.; Fatope M.O.; Al-Saidi S.H.; Al-Kindy S.M.Z.; Marwah R.G., Composition and antimicrobial activity of the essential oil of Pluchea arabica from Oman, Flavour Fragr. J., 2006, 21, 3, 469-471, https://doi.org/10.1002/ffj.1616 . [all data]

Sacchetti, Medici, et al., 2004
Sacchetti, G.; Medici, A.; Maietti, S.; Radice, M.; Muzzoli, M.; Manfredini, S.; Braccioli, E.; Bruni, R., Composition and functional properties of the essential oil of Amazonian basil, Ocimum micranthum Willd., Labiatae in comparison with commercial essential oils, J. Agric. Food Chem., 2004, 52, 11, 3486-3491, https://doi.org/10.1021/jf035145e . [all data]

Lorenzo, Paz, et al., 2002
Lorenzo, D.; Paz, D.; Dellacassa, E.; Davies, P.; Vila, R.; Cañigueral, S., Essential oils of Mentha pulegium and Mentha rotundifolia from Uruguay, Braz. Arch. Biol. Technol., 2002, 45, 4, 519-524, https://doi.org/10.1590/S1516-89132002000600016 . [all data]

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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