Methyl tetrahydro-3-furoate supplier

Name
Methyl tetrahydro-3-furoate
EINECS
CAS No. 53662-85-4
Article Data12
CAS DataBase
Density 1.109 g/cm³
Solubility
Melting Point
Formula C₆H₁₀O₃
Boiling Point 158.753 °C at 760 mmHg
Molecular Weight 130.14
Flash Point 55.161 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Furancarboxylic acid, tetrahydro-, methyl ester;Methyl tetrahydrofuran-3-carboxylate;
PSA 35.53000
LogP 0.19590

Methyl tetrahydro-3-furoate Specification

The Methyl tetrahydro-3-furoate, with the CAS registry number 53662-85-4, is also known as 3-Furancarboxylic acid, tetrahydro-, methyl ester. This chemical's molecular formula is C₆H₁₀O₃ and molecular weight is 130.14. What's more, its systematic name is methyl tetrahydrofuran-3-carboxylate.

Physical properties of Methyl tetrahydro-3-furoate are: (1)ACD/LogP: -0.03; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 22; (6)ACD/KOC (pH 7.4): 22; (7)#H bond acceptors: 3; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 35.53 Å²; (11)Index of Refraction: 1.441; (12)Molar Refractivity: 31.003 cm³; (13)Molar Volume: 117.372 cm³; (14)Polarizability: 12.29×10^-24cm³; (15)Surface Tension: 34.519 dyne/cm; (16)Density: 1.109 g/cm³; (17)Flash Point: 55.161 °C; (18)Enthalpy of Vaporization: 39.54 kJ/mol; (19)Boiling Point: 158.753 °C at 760 mmHg; (20)Vapour Pressure: 2.586 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C1COCC1
(2)InChI: InChI=1S/C6H10O3/c1-8-6(7)5-2-3-9-4-5/h5H,2-4H2,1H3
(3)InChIKey: HUTNCRJHLZDGPO-UHFFFAOYSA-N

Product Name

Methyl tetrahydro-3-furoate

Methyl tetrahydro-3-furoate Specification

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