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CAS No.: | 2150-37-0 |
---|---|
Name: | Methyl 3,5-dimethoxybenzoate |
Article Data: | 82 |
Molecular Structure: | |
Formula: | C10H12O4 |
Molecular Weight: | 196.203 |
Synonyms: | 3,5-Dimethoxybenzoicacid methyl ester;Methyl 3,5-bis(methyloxy)benzoate;NSC 65605; |
EINECS: | 218-423-6 |
Density: | 1.119 g/cm3 |
Melting Point: | 41-43 °C |
Boiling Point: | 294.9 °C at 760 mmHg |
Flash Point: | 128 °C |
Appearance: | White to beige powder or granules |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 24/25-36/37-26 |
PSA: | 44.76000 |
LogP: | 1.49040 |
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The Methyl 3,5-dimethoxybenzoate with CAS registry number of 2150-37-0 is also known as Benzoic acid,3,5-dimethoxy-, methyl ester. The IUPAC name and product name are the same. It belongs to product categories of Aromatic Esters; Building Blocks for Dendrimers; Functional Materials; C10 to C11; Carbonyl Compounds;Esters. Its EINECS registry number is 218-423-6. In addition, the formula is C10H12O4 and the molecular weight is 196.20. This chemical is a white to beige powder or granule that may cause inflammation to the skin or other mucous membranes. Besides, it should be sealed in cool, dry place away from oxidants. What's more, this chemical is used as pharmaceutical intermediate and used for organic synthesis.
Physical properties about Methyl 3,5-dimethoxybenzoate are: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.85; (4)ACD/LogD (pH 7.4): 1.85; (5)#H bond acceptors: 4; (6)#Freely Rotating Bonds: 4; (7)Index of Refraction: 1.497; (8)Molar Refractivity: 51.38 cm3; (9)Molar Volume: 175.3 cm3; (10)Surface Tension: 34.6 dyne/cm; (11)Density: 1.119 g/cm3; (12)Flash Point: 128 °C; (13)Enthalpy of Vaporization: 53.46 kJ/mol; (14)Boiling Point: 294.9 °C at 760 mmHg; (15)Vapour Pressure: 0.00157 mmHg at 25 °C.
Preparation of Methyl 3,5-dimethoxybenzoate: it is prepared by reaction of diazomethane with 3,5-dimethoxy-benzoic acid. The reaction needs reagents methanol, diethyl ether and the yield is about 100 %.
Uses of Methyl 3,5-dimethoxybenzoate: it is used to produce 1-(3-bromo-propyl)-3,5-dimethoxy-cyclohexa-2,5-dienecarboxylic acid methyl ester by reaction with 1,3-dibromo-propane. The reaction occurs with reagents tert-butyl alcohol, liquid ammonia, lithium and solvent tetrahydrofuran. The yield is about 33%.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing and gloves. Avoid contact with skin and eyes. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: COC1=CC(=CC(=C1)C(=O)OC)OC
2. InChI: InChI=1S/C10H12O4/c1-12-8-4-7(10(11)14-3)5-9(6-8)13-2/h4-6H,1-3H3
3. InChIKey: YXUIOVUOFQKWDM-UHFFFAOYSA-N