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| CAS No.: | 59276-37-8 |
|---|---|
| Name: | 3,4,5-TRIMETHOXYBENZALDEHYDE DIMETHYL ACETAL |
| Molecular Structure: | |
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| Formula: | C12H18O5 |
| Molecular Weight: | 242.272 |
| Synonyms: | 3,4,5-Trimethoxybenzaldehyde dimethylacetal;Benzaldehyde,3,4,5-trimethoxy-, dimethyl acetal (7CI); |
| Density: | 1.08 g/cm3 |
| Boiling Point: | 292.3 °C at 760 mmHg |
| Flash Point: | 111.1 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 46.15000 |
| LogP: | 2.00380 |
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- Total:13 Page 1 of 1 1
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Specification
The Benzene, 5-(dimethoxymethyl)-1, 2, 3-trimethoxy-, with the CAS registry number 59276-37-8, is also known as 3, 4, 5-Trimethoxybenzaldehyde dimethyl acetal. It belongs to the product categories of Acetals/Ketals/Ortho Esters; Organic Building Blocks; Oxygen Compounds. This chemical's molecular formula is C12H18O5 and molecular weight is 242.27. What's more, its systematic name is 5-(Dimethoxymethyl)-1, 2, 3-trimethoxybenzene. In addition, it must be stored in airtight containers and placed in a dry, cool place.
Physical properties about Benzene, 5-(dimethoxymethyl)-1, 2, 3-trimethoxy- are: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.68; (4)ACD/LogD (pH 7.4): 1.68; (5)ACD/BCF (pH 5.5): 11.05; (6)ACD/BCF (pH 7.4): 11.05; (7)ACD/KOC (pH 5.5): 194.34; (8)ACD/KOC (pH 7.4): 194.34; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 46.15 Å2; (13)Index of Refraction: 1.482; (14)Molar Refractivity: 63.96 cm3; (15)Molar Volume: 224.2 cm3; (16)Polarizability: 25.35×10-24 cm3; (17)Surface Tension: 31.6 dyne/cm; (18)Density: 1.08 g/cm3; (19)Flash Point: 111.1 °C; (20)Enthalpy of Vaporization: 51.04 kJ/mol; (21)Boiling Point: 292.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00324 mmHg at 25 °C.
Preparation of Benzene, 5-(dimethoxymethyl)-1, 2, 3-trimethoxy-: this chemical is prepared by reaction of 3, 4, 5-Trimethoxy-benzaldehyde with Trimethoxymethane by heating. The reaction needs reagent NH4Cl and solvent Methanol. The reaction time is 3 hours. The yield is about 83 %.
-1, 2, 3-trimethoxy-.png)
Uses of Benzene, 5-(dimethoxymethyl)-1, 2, 3-trimethoxy-: it is used to produce other chemicals. For example, it is used to produce 1-(3, 5-Dimethoxyphenyl)ethanol. The reaction needs reagent K and solvent Tetrahydrofuran. The reaction time is 24 hours with reaction temperature of 45 °C. The yield is about 68 %.
-1, 2, 3-trimethoxy-.png)
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O(c1cc(cc(OC)c1OC)C(OC)OC)C
(2) InChI: InChI=1/C12H18O5/c1-13-9-6-8(12(16-4)17-5)7-10(14-2)11(9)15-3/h6-7,12H,1-5H3
(3) InChIKey: PEZMUQHWXSFOIK-UHFFFAOYAM