4-(4-FORMYL-3,5-DIMETHOXYPHENOXY)BUTYRIC ACID

The Butanoic acid,4-(4-formyl-3,5-dimethoxyphenoxy)-, with the CAS registry number 197304-21-5, is also known as 4-(3', 5'-Dimethoxy-4'-formyl)phenoxy butyric acid. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. This chemical's molecular formula is C₁₃H₁₆O₆ and molecular weight is 268.26. What's more, its systematic name is called 4-(4-Formyl-3,5-dimethoxyphenoxy)butanoic acid.

Physical properties about Butanoic acid,4-(4-formyl-3,5-dimethoxyphenoxy)- are: (1) ACD/LogP: 1.63; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.66; (4) ACD/LogD (pH 7.4): -1.15; (5) ACD/BCF (pH 5.5): 1.09; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 19.64; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 6; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 8; (12) Polar Surface Area: 71.06 Å²; (13) Index of Refraction: 1.543; (14) Molar Refractivity: 68.5 cm³; (15) Molar Volume: 217.2 cm³; (16) Surface Tension: 45.2 dyne/cm; (17) Density: 1.234 g/cm³; (18) Flash Point: 187.8 °C; (19) Enthalpy of Vaporization: 79.96 kJ/mol; (20) Boiling Point: 492.3 °C at 760 mmHg; (21) Vapour Pressure: 1.65E-10 mmHg at 25 °C.

Uses of Butanoic acid,4-(4-formyl-3,5-dimethoxyphenoxy)-: it is used to produce other chemicals. For example, it is used to produce 4-[4-(Allyloxyamino-methyl)-3,5-dimethoxy-phenoxy]-butyric acid. This reaction needs reagent NaBH₃CN and solvent Acetic acid. The reaction time is 18 hours. The yield is 70 %.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And you should take off immediately all contaminated clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CCCOc1cc(OC)c(C=O)c(OC)c1
(2) InChI: InChI=1/C13H16O6/c1-17-11-6-9(19-5-3-4-13(15)16)7-12(18-2)10(11)8-14/h6-8H,3-5H2,1-2H3,(H,15,16)
(3) InChIKey: SEJSVFHBVLKHLB-UHFFFAOYAT