3-(4-Ethoxy-3-methoxyphenyl)propanoic acid supplier

Name
3-(4-ETHOXY-3-METHOXYPHENYL)PROPIONIC ACID
EINECS
CAS No. 30044-91-8
Article Data5
CAS DataBase
Density 1.133 g/cm³
Solubility
Melting Point 130～132℃
Formula C₁₂H₁₆O₄
Boiling Point 357.257 °C at 760 mmHg
Molecular Weight 224.257
Flash Point 134.126 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols
Synonyms Hydrocinnamicacid, 4-ethoxy-3-methoxy- (8CI);3-(4-Ethoxy-3-methoxyphenyl)propionic acid;
PSA 55.76000
LogP 2.11110

3-(4-Ethoxy-3-methoxyphenyl)propanoic acid Specification

The Benzenepropanoicacid, 4-ethoxy-3-methoxy- is an organic compound with the formula C₁₂H₁₆O₄. The systematic name of this chemical is 3-(4-Ethoxy-3-methoxyphenyl)propanoic acid. With the CAS registry number 30044-91-8, it is also named as 3-(4-Ethoxy-3-methoxyphenyl)propionic acid. Besides, its molecular weight is 224.10.

The physical properties of Benzenepropanoicacid, 4-ethoxy-3-methoxy- are: (1)ACD/LogP: 1.07; (2)ACD/LogD (pH 5.5): 1; (3)ACD/BCF (pH 5.5): 3; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 47; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 55.76 Å²; (11)Index of Refraction: 1.518; (12)Molar Refractivity: 59.989 cm³; (13)Molar Volume: 197.894 cm³; (14)Polarizability: 23.782×10^-24 cm³; (15)Surface Tension: 40.288 dyne/cm; (16)Density: 1.133 g/cm³; (17)Flash Point: 134.126 °C; (18)Enthalpy of Vaporization: 63.586 kJ/mol; (19)Boiling Point: 357.257 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCc1cc(OC)c(OCC)cc1
(2)InChI: InChI=1/C12H16O4/c1-3-16-10-6-4-9(5-7-12(13)14)8-11(10)15-2/h4,6,8H,3,5,7H2,1-2H3,(H,13,14)
(3)InChIKey: BTKVFGHQNRGQIB-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C12H16O4/c1-3-16-10-6-4-9(5-7-12(13)14)8-11(10)15-2/h4,6,8H,3,5,7H2,1-2H3,(H,13,14)
(5)Std. InChIKey: BTKVFGHQNRGQIB-UHFFFAOYSA-N

Product Name

3-(4-ETHOXY-3-METHOXYPHENYL)PROPIONIC ACID

3-(4-Ethoxy-3-methoxyphenyl)propanoic acid Specification

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