13575-74-1

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13575-74-1 Structure

Identification	Back Directory
[Name] 4-(3,4-DIMETHOXYPHENYL)BUTYRIC ACID
[CAS] 13575-74-1
[Synonyms] Nsc286140 LABOTEST-BB LT00452952 3,4-DiMethoxybenzenebutanoic Acid 4-(3,4-DIMETHOXYPHENYL)BUTYRIC ACID Benzenebutanoic acid, 3,4-dimethoxy- 4-(3,4-Dimethoxyphenyl)butyric acid 99%
[Molecular Formula] C12H16O4
[MDL Number] MFCD00134101
[MOL File] 13575-74-1.mol
[Molecular Weight] 224.25

Chemical Properties	Back Directory
[Melting point ] 62-63 °C(lit.)
[Boiling point ] 210 °C6 mm Hg(lit.)
[density ] 1.1697 (rough estimate)
[refractive index ] 1.5130 (estimate)
[Fp ] 210°C/6mm
[storage temp. ] Storage temp. 2-8°C
[form ] powder
[pka] 4.74±0.10(Predicted)
[Appearance] White to off-white Solid
[InChI] 1S/C12H16O4/c1-15-10-7-6-9(8-11(10)16-2)4-3-5-12(13)14/h6-8H,3-5H2,1-2H3,(H,13,14)
[InChIKey] IDQKCIAJGRMMNC-UHFFFAOYSA-N
[SMILES] COc1ccc(CCCC(O)=O)cc1OC

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H319
[Precautionary statements ] P305+P351+P338
[Hazard Codes ] Xi
[Risk Statements ] 36
[Safety Statements ] 26
[WGK Germany ] 3
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Eye Irrit. 2

Hazard Information	Back Directory
[Uses] 4-(2,3-Dimethoxyphenyl)butanoic acid is a butyrate analogue with effects on apoptosis, proliferation and histone deacetylase (HDAC) activity in HT-29 colorectal cancer cells.

Spectrum Detail	Back Directory
[Spectrum Detail] 4-(3,4-DIMETHOXYPHENYL)BUTYRIC ACID(13575-74-1)¹HNMR 4-(3,4-DIMETHOXYPHENYL)BUTYRIC ACID(13575-74-1)IR 4-(3,4-DIMETHOXYPHENYL)BUTYRIC ACID(13575-74-1)Raman

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