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Name |
Benzenepropanoic acid,2,5-dimethoxy- |
EINECS | N/A |
CAS No. | 10538-49-5 | Density | 1.159 g/cm3 |
PSA | 55.76000 | LogP | 1.72100 |
Solubility | N/A | Melting Point |
66-69 °C(lit.) |
Formula | C11H14O4 | Boiling Point | 353.3 °C at 760 mmHg |
Molecular Weight | 210.23 | Flash Point | 136.3 °C |
Transport Information | N/A | Appearance | beige solid |
Safety | 22-24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Hydrocinnamicacid, 2,5-dimethoxy- (6CI,7CI,8CI);2,5-Dimethoxybenzenepropanoic acid;2,5-Dimethoxydihydrocinnamic acid;2,5-Dimethoxyhydrocinnamic acid;3-(2,5-Dimethoxyphenyl)propanoic acid;3-(2,5-Dimethoxyphenyl)propionic acid; |
Article Data | 17 |
This chemical is called Benzenepropanoic acid,2,5-dimethoxy-, and its systematic name is 3-(2,5-Dimethoxyphenyl)propanoic acid. With the molecular formula of C11H14O4, its molecular weight is 210.23. The CAS registry number of the chemical is 10538-49-5. Additionally, its product categories are C11 to C12; Carbonyl Compounds; Carboxylic Acids.
Other characteristics of Benzenepropanoic acid,2,5-dimethoxy- can be summarised as followings: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.88; (4)ACD/LogD (pH 7.4): -0.92; (5)ACD/BCF (pH 5.5): 1.72; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.55; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 55.35 cm3; (15)Molar Volume: 181.3 cm3; (16)Polarizability: 21.94×10-24cm3; (17)Surface Tension: 40.9 dyne/cm; (18)Density: 1.159 g/cm3; (19)Flash Point: 136.3 °C; (20)Enthalpy of Vaporization: 63.12 kJ/mol; (21)Boiling Point: 353.3 °C at 760 mmHg; (22)Vapour Pressure: 1.34E-05 mmHg at 25°C.
Production method of this chemical: The Benzenepropanoic acid,2,5-dimethoxy- could be obtained by the reactant of 2,5-Dimethoxy-cinnamic acid. This reaction needs the reagent of H2. The yield is 95 %.
Uses of this chemical: The Benzenepropanoic acid,2,5-dimethoxy- could obtain the 4,7-Dimethoxy-indan-1-one. This reaction needs the reagent of Polyphosphoric acid. The yield is 63 %. In addition, this reaction should be taken for 30 minutes at the temperature of 57 - 60 °C.
When you are using this chemical, please be cautious about it as the following: Do not breathe dust, avoid contacting with skin and eyes when you use this chemical.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)CCc1cc(OC)ccc1OC
2.InChI: InChI=1/C11H14O4/c1-14-9-4-5-10(15-2)8(7-9)3-6-11(12)13/h4-5,7H,3,6H2,1-2H3,(H,12,13)
3.InChIKey: JENQUCZZZGYHRW-UHFFFAOYAA
4.Std. InChI: InChI=1S/C11H14O4/c1-14-9-4-5-10(15-2)8(7-9)3-6-11(12)13/h4-5,7H,3,6H2,1-2H3,(H,12,13)
5.Std. InChIKey: JENQUCZZZGYHRW-UHFFFAOYSA-N