1,2-Benzenedicarboxylic acid, monobutyl ester

Formula: C₁₂H₁₄O₄
Molecular weight: 222.2372
IUPAC Standard InChI: InChI=1S/C12H14O4/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)
IUPAC Standard InChIKey: YZBOVSFWWNVKRJ-UHFFFAOYSA-N
CAS Registry Number: 131-70-4
Chemical structure:
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Other names: Phthalic acid, monobutyl ester; Butyl hydrogen phthalate; Monobutyl phthalate; Mono-n-butyl phthalate; MBP; Butyl hydroxy phthalate
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Other data available:
- Mass spectrum (electron ionization)
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Gas Chromatography

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

Normal alkane RI, non-polar column, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	SPB-5	1520.	Kim and Lee, 2001	60. m/0.25 mm/0.25 μm, Helium, 50. C @ 3. min, 3. K/min, 240. C @ 10. min

References

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Kim and Lee, 2001
Kim, N.-S.; Lee, D.-S., Characterization of Rosemary fragrances by solid phase microextraction and GC-MS, Analyt. Sci., 2001, 17, Supplement, a383-a386. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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