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3-Furancarboxaldehyde,tetrahydro-2,5-dimethoxy-

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Name

3-Furancarboxaldehyde,tetrahydro-2,5-dimethoxy-

EINECS 256-668-0
CAS No. 50634-05-4 Density 1.11 g/cm3
PSA 44.76000 LogP 0.16680
Solubility N/A Melting Point N/A
Formula C7H12O4 Boiling Point 206.9 °C at 760 mmHg
Molecular Weight 160.17 Flash Point 91.6 °C
Transport Information N/A Appearance clear yellow to brown liquid
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 50634-05-4 (2,5-DIMETHOXY-3-TETRAHYDROFURANCARBOXALDEHYDE) Hazard Symbols HarmfulXn
Synonyms

2,5-Dimethoxy-3-formyltetrahydrofuran;2,5-Dimethoxy-tetrahydro-furan-4-carboxaldehyde;2,5-Dimethoxytetrahydro-3-furancarboxaldehyde;3-Formyl-2,5-dimethoxytetrahydrofuran;Tetrahydro-2,5-dimethoxy-3-furancarboxaldehyde;

Article Data 2

3-Furancarboxaldehyde,tetrahydro-2,5-dimethoxy- Specification

The 3-Furancarboxaldehyde, tetrahydro-2, 5-dimethoxy-, with the CAS registry number 50634-05-4, is also known as 2, 5-Dimethoxytetrahydrofuran-3-carbaldehyde. It belongs to the product categories of Building Blocks; Furans; Heterocyclic Building Blocks. Its EINECS registry number is 256-668-0. This chemical's molecular formula is C7H12O4 and molecular weight is 160.17. What's more, its IUPAC name is 2, 5-Dimethoxyoxolane-3-carbaldehyde. In addition, it must be stored in airtight containers and placed in a dry, cool place. Besides, you should ensure the work place is well-ventilated.

Physical properties about 3-Furancarboxaldehyde, tetrahydro-2, 5-dimethoxy- are: (1)ACD/LogP: -0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.77; (4)ACD/LogD (pH 7.4): -0.77; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.05; (8)ACD/KOC (pH 7.4): 9.05; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.439; (14)Molar Refractivity: 37.9 cm3; (15)Molar Volume: 143.9 cm3; (16)Polarizability: 15.02×10-24 cm3; (17)Surface Tension: 32.8 dyne/cm; (18)Density: 1.11 g/cm3; (19)Flash Point: 91.6 °C; (20)Enthalpy of Vaporization: 44.32 kJ/mol; (21)Boiling Point: 206.9 °C at 760 mmHg; (22)Vapour Pressure: 0.232 mmHg at 25 °C.

Uses of 3-Furancarboxaldehyde, tetrahydro-2, 5-dimethoxy-: it is used to produce other chemicals. For example, it is used to produce 2, 5-Dimethoxy-tetrahydrofuran-3-carboxylic acid at ambient temperature. This reaction needs reagents 5 % NaH2PO4 buffer and 1M KMnO4. Meanwhile, it needs solvent 2-Methyl-propan-2-ol. The reaction time is 10 minutes. The yield is about 49 %.

3-Furancarboxaldehyde, tetrahydro-2, 5-dimethoxy- can be used to produce 2, 5-Dimethoxy-tetrahydrofuran-3-carboxylic acid.

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 is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. 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=CC1C(OC)OC(OC)C1
(2) InChI: InChI=1/C7H12O4/c1-9-6-3-5(4-8)7(10-2)11-6/h4-7H,3H2,1-2H3
(3) InChIKey: QMIGEDXMDGEZSR-UHFFFAOYAU

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