Acetic acid, 2-methylphenyl ester

Formula: C₉H₁₀O₂
Molecular weight: 150.1745
IUPAC Standard InChI: InChI=1S/C9H10O2/c1-7-5-3-4-6-9(7)11-8(2)10/h3-6H,1-2H3
IUPAC Standard InChIKey: AMZORBZSQRUXNC-UHFFFAOYSA-N
CAS Registry Number: 533-18-6
Chemical structure:
This structure is also available as a 2d Mol file
Other names: Acetic acid, o-tolyl ester; o-Acetoxytoluene; o-Cresol acetate; o-Cresyl acetate; o-Cresylic acetate; o-Methylphenyl acetate; o-Tolyl acetate; Acetyl-o-cresol; 2-Methylphenyl acetate; 2-Methylphenyl ester of acetic acid; 2-Acetoxytoluene; NSC 58961
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Other data available:
Options:
- Switch to SI units

IR Spectrum

Go To: Top, Gas Chromatography, References, Notes

Data compiled by: Coblentz Society, Inc.

A digitized version of this spectrum is not currently available.

Owner	COBLENTZ SOCIETY Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.
Source reference	COBLENTZ NO. 7943
Date	Not specified, most likely prior to 1970
Instrument	Not specified, most likely a prism, grating, or hybrid spectrometer.
Data processing	(NO SPECTRUM, ONLY SCANNED IMAGE IS AVAILABLE)

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.

Go To: Top, IR Spectrum, References, Notes

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

Column type	Active phase	I	Reference	Comment
Capillary	ZB-1	1111.	Urbanczyk, Staniewski, et al., 2002	30. m/0.25 mm/0.50 μm, He, 50. C @ 3. min, 10. K/min, 280. C @ 10. min

Column type	Active phase	I	Reference	Comment
Capillary	BPX-5	1109.	Cardeal, da Silva, et al., 2006	30. m/0.25 mm/0.25 μm; Program: 35C(5min) => 3C/min => 210C => 40C/min => 240C (4min)
Packed	SE-30	1122.	Peng, Ding, et al., 1988	Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min)

Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	1716.	Peng, Yang, et al., 1991	Program: not specified

Go To: Top, IR Spectrum, Gas Chromatography, Notes

Urbanczyk, Staniewski, et al., 2002
Urbanczyk, A.; Staniewski, J.; Szymanowski, J., Abraham model in gas chromatography of phenol pollutants, Anal. Chim. Acta., 2002, 466, 1, 151-159, https://doi.org/10.1016/S0003-2670(02)00544-5 . [all data]

Cardeal, da Silva, et al., 2006
Cardeal, Z.L.; da Silva, M.D.R.G.; Marriott, P.J., Comprehensive two-dimensional gas chromatography/mass spectrometric analysis of pepper volatiles, Rapid Commun. Mass Spectrom., 2006, 20, 19, 2823-2836, https://doi.org/10.1002/rcm.2665 . [all data]

Peng, Ding, et al., 1988
Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C., Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns, J. Chromatogr., 1988, 436, 137-172, https://doi.org/10.1016/S0021-9673(00)94575-8 . [all data]

Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F., Prediction of rentention idexes. II. Structure-retention index relationship on polar columns, J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F . [all data]

Go To: Top, IR Spectrum, Gas Chromatography, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
Customer support for NIST Standard Reference Data products.