Benzeneacetic acid, 4-methoxy-, methyl ester

Formula: C₁₀H₁₂O₃
Molecular weight: 180.2005
IUPAC Standard InChI: InChI=1S/C10H12O3/c1-12-9-5-3-8(4-6-9)7-10(11)13-2/h3-6H,7H2,1-2H3
IUPAC Standard InChIKey: ZQYLDVNTWDEAJI-UHFFFAOYSA-N
CAS Registry Number: 23786-14-3
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: Acetic acid, (p-methoxyphenyl)-, methyl ester; (4-Methoxyphenyl)acetic acid methyl ester; Methyl (p-methoxyphenyl)acetate; Methyl (4-methoxyphenyl)acetate; Methyl 2-(p-methoxyphenyl)acetate; Phenylacetic acid, 4-methoxy, methyl ester; Acetic acid, 4-methoxyphenoxy, methyl ester
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Other data available:
- Phase change data
- Mass spectrum (electron ionization)
Options:
- Switch to SI units

Gas Chromatography

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

Column type	Active phase	Temperature (C)	I	Reference	Comment
Packed	Apolane	190.	1364.	Kuchar, Tomková, et al., 1985	He, Chromosorb W HP; Column length: 1. m
Packed	Apolane	120.	1395.2	Kuchar, Tomková, et al., 1985	He, Chromosorb W HP; Column length: 1. m

Column type	Active phase	I	Reference	Comment
Capillary	VF-5MS	1440.2	Tret'yakov, 2007	30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C

Column type	Active phase	I	Reference	Comment
Capillary	OV-101	1393.	Pinkston, Spiteller, et al., 1981	H2, 80. C @ 7. min, 2. K/min; Column length: 30. m; Column diameter: 0.3 mm; T_end: 275. C
Capillary	OV-101	1393.	Spiteller and Spiteller, 1979	He, 75. C @ 7. min, 2. K/min; Column length: 25. m; T_end: 280. C

Column type	Active phase	I	Reference	Comment
Capillary	HP-1	1385.	Rowland, Blackman, et al., 1995	25. m/0.25 mm/0.25 μm; Program: 30 0C (4 min) 6 K/min -> 200 0C 15 K/min -> 250 0C (20 min)

Go To: Top, Gas Chromatography, Notes

Kuchar, Tomková, et al., 1985
Kuchar, Ml; Tomková, H.; Rejholec, V.; Skalická, O., Relationships between gas-liquid chromatographic behaviour and structure of arylaliphatic acids, J. Chromatogr., 1985, 333, 21-28, https://doi.org/10.1016/S0021-9673(01)87321-0 . [all data]

Tret'yakov, 2007
Tret'yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [all data]

Pinkston, Spiteller, et al., 1981
Pinkston, D.; Spiteller, G.; von Henning, H.; Matthaei, D., High-resolution gas chromatography-mass spectrometry of the methyl esters of organic acids from uremic hemofiltrates, J. Chromatogr., 1981, 223, 1, 1-19, https://doi.org/10.1016/S0378-4347(00)80063-8 . [all data]

Spiteller and Spiteller, 1979
Spiteller, M.; Spiteller, G., Trennung und charakterisierung saurer harnbest and- teile, J. Chromatogr., 1979, 164, 3, 253-317, https://doi.org/10.1016/S0378-4347(00)81232-3 . [all data]

Rowland, Blackman, et al., 1995
Rowland, C.Y.; Blackman, A.J.; D'Arcy, B.R.; Rintoul, G.B., Comparison of organic extractives found in leatherwood (Eucryphia lucida) honey and leatherwood flowers and leaves, J. Agric. Food Chem., 1995, 43, 3, 753-763, https://doi.org/10.1021/jf00051a036 . [all data]

Go To: Top, 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.