Nopyl acetate
- Formula: C13H20O2
- Molecular weight: 208.2967
- IUPAC Standard InChI: InChI=1S/C13H20O2/c1-9(14)15-7-6-10-4-5-11-8-12(10)13(11,2)3/h4,11-12H,5-8H2,1-3H3
- IUPAC Standard InChIKey: AWNOGHRWORTNEI-UHFFFAOYSA-N
- CAS Registry Number: 128-51-8
- 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: Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate; Citroviol; Lignyl acetate; Nopol acetate; 2-Norpinene-2-ethanol, 6,6-dimethyl-, acetate; 2-Pinene-10-methyl acetate; 6,6-Dimethyl-2-norpinene-2-ethanol, acetate; 6,6-Dimethylbicyclo(3.1.1)-2-heptene-2-ethyl acetate
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IR Spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Coblentz Society, Inc.
Condensed Phase Spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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| Owner | Copyright (C) 1987 by the Coblentz Society Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | COLGATE-PALMOLIVE COMPANY (KELLENBACH) |
| Source reference | COBLENTZ NO. 9763 |
| Date | 1969/06/19 |
| Name(s) | 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl acetate CITROVIOL |
| State | LIQUID (NEAT) |
| Instrument | BECKMAN IR-12 (GRATING) |
| Instrument parameters | GRATING |
| Path length | CAPILLARY SPECTRAL CONTAMINATION DUE TO AN UNKNOWN AROUND 2370 CM-1 |
| Resolution | 2 |
| Sampling procedure | TRANSMISSION |
| Data processing | DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY |
Gas Chromatography
Go To: Top, IR Spectrum, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | SE-30 | 150. | 1413. | Tudor and Moldovan, 1999 | |
| Capillary | SE-30 | 100. | 1413.1 | Tudor, 1997 | 40. m/0.35 mm/0.35 μm |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CB-1 | 1400. | Kannaste, Vongvanich, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (2 min) 4 0C/min -> 180 0C 20 0C/min -> 220 0C (1 min) |
| Capillary | SE-30 | 1412. | Vinogradov, 2004 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1777. | Vinogradov, 2004 | Program: not specified |
References
Go To: Top, IR Spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Tudor and Moldovan, 1999
Tudor, E.; Moldovan, D.,
Temperature Dependence of the Retention Index for Perfumery Compounds on a Se-30 Glass Capillary Column. II. The Hyperbolic Equation,
J. Chromatogr., 1999, 848, 1-2, 215-227, https://doi.org/10.1016/S0021-9673(99)00412-4
. [all data]
Tudor, 1997
Tudor, E.,
Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equations,
J. Chromatogr. A, 1997, 779, 1-2, 287-297, https://doi.org/10.1016/S0021-9673(97)00453-6
. [all data]
Kannaste, Vongvanich, et al., 2008
Kannaste, A.; Vongvanich, N.; Borg-Karlson, A.-K.,
Infestation by a Nalepella species induces emissions of alpha- and beta-farnesenes, (-)-linalool and aromatic compounds in Norway spruce clones of different susceptibility to the large pine weevil,
Anthropod-Plant Interactions, 2008, 2, 1, 31-41, https://doi.org/10.1007/s11829-008-9029-4
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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