CAS No.33130-04-0,3-(2,3,4-TRIMETHOXYPHENYL)PROPIONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	33130-04-0
Name:	3-(2,3,4-TRIMETHOXYPHENYL)PROPIONIC ACID
Article Data:	8

Formula:	C₁₂H₁₆O₅
Molecular Weight:	240.256
Synonyms:	2,3,4-Trimethoxyhydrocinnamicacid;3-(2,3,4-Trimethoxyphenyl)propionic acid;
EINECS:	251-389-0
Density:	1.169 g/cm³
Melting Point:	70-73℃
Boiling Point:	362.3 °C at 760 mmHg
Flash Point:	134.8 °C
PSA:	64.99000
LogP:	1.72960

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Specification

The Benzenepropanoic acid,2,3,4-trimethoxy-, with the CAS registry number 33130-04-0, is also known as 2,3,4-Trimethoxyhydrocinnamicacid. It belongs to the product category of Aromatic Propionic Acids. Its EINECS number is 251-389-0. This chemical's molecular formula is C₁₂H₁₆O₅ and molecular weight is 240.25. What's more, its systematic name is 3-(2,3,4-trimethoxyphenyl)propanoic acid.

Physical properties of Benzenepropanoic acid,2,3,4-trimethoxy- are: (1)ACD/LogP: 1.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.49; (4)ACD/LogD (pH 7.4): -1.31; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.07; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 53.99 Å²; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 62.03 cm³; (15)Molar Volume: 205.3 cm³; (16)Polarizability: 24.59×10^-24cm³; (17)Surface Tension: 39.6 dyne/cm; (18)Density: 1.169 g/cm³; (19)Flash Point: 134.8 °C; (20)Enthalpy of Vaporization: 64.17 kJ/mol; (21)Boiling Point: 362.3 °C at 760 mmHg; (22)Vapour Pressure: 6.99E-06 mmHg at 25°C.

Uses of Benzenepropanoic acid,2,3,4-trimethoxy-: it can be used to produce 5,6,7-trimethoxy-chroman-2-one at the temperature of -20°C. It will need reagents thallium(III) trifluoroacetate, BF₃·Et₂O and solvents trifluoroacetic acid, CH₂Cl₂ with the reaction time of 10 seconds. The yield is about 53%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCc1c(OC)c(OC)c(OC)cc1
(2)InChI: InChI=1S/C12H16O5/c1-15-9-6-4-8(5-7-10(13)14)11(16-2)12(9)17-3/h4,6H,5,7H2,1-3H3,(H,13,14)
(3)InChIKey: QOPNYPCVRBRZOP-UHFFFAOYSA-N