추천 제품
분석
97%
mp
150-153 °C (lit.)
작용기
carboxylic acid
SMILES string
Cc1cc(C)c(cc1C)C(O)=O
InChI
1S/C10H12O2/c1-6-4-8(3)9(10(11)12)5-7(6)2/h4-5H,1-3H3,(H,11,12)
InChI key
QENJZWZWAWWESF-UHFFFAOYSA-N
일반 설명
Crystal structure of 2,4,5-trimethylbenzoic acid (2,4,5-TMBA)[1] has been determined by X-ray studies. Two molecules of 2,4,5-TMBA on association affords centrosymmetric carboxyl dimers.[2] 2,4,5-TMBA can be synthesized from pseudocumene.[3] Vibrational analysis of monomeric and dimeric foms of 2,4,5-TMBA have been reported.[1]
Storage Class Code
13 - Non Combustible Solids
WGK
WGK 3
Flash Point (°F)
Not applicable
Flash Point (°C)
Not applicable
개인 보호 장비
Eyeshields, Gloves, type N95 (US)
Pyrazines and related compounds; a new synthesis of hydroxypyrazines.
R G JONES
Journal of the American Chemical Society, 71(1), 78-81 (1949-01-01)
Mehmet Karabacak et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 134, 598-607 (2014-08-19)
Theoretical study on the structural and vibrational analysis of monomer and dimer structures of 2,4,5-trimethylbenzoic acid (2,4,5-TMBA, C₁₀H₁₂O₂) were presented. The geometry of the molecule was fully optimized. The Fourier transform infrared (FT-IR) and the Fourier transform Raman (FT-Raman) spectra
2, 4, 5-Trimethylbenzoic Acid.
Barcon A, et al.
Acta Crystallographica Section C, Structural Chemistry, 53(12), 1842-1845 (1997)
활성 필터
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