3-Furancarboxylic acid,5-methyl-, methyl ester supplier

Name
3-Furancarboxylicacid,5-methyl-,methylester(9CI)
EINECS
CAS No. 35351-35-0
Article Data4
CAS DataBase
Density 1.109 g/cm³
Solubility
Melting Point
Formula C₇H₈O₃
Boiling Point 182.5 °C at 760 mmHg
Molecular Weight 140.139
Flash Point 64.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 5-methyl-3-furoate;
PSA 39.44000
LogP 1.37460

3-Furancarboxylic acid,5-methyl-, methyl ester Specification

The 3-Furancarboxylic acid,5-methyl-, methyl ester, with the CAS registry number 35351-35-0, has the systematic name of Methyl 5-methyl-3-furoate. It belongs to the product category of Carboxylic ester, and the molecular formula of the chemical is C₇H₈O₃.

The characteristics of 3-Furancarboxylic acid,5-methyl-, methyl ester are as followings: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.73; (4)ACD/LogD (pH 7.4): 1.73; (5)ACD/BCF (pH 5.5): 12.24; (6)ACD/BCF (pH 7.4): 12.24; (7)ACD/KOC (pH 5.5): 209.05; (8)ACD/KOC (pH 7.4): 209.05; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.44 Å²; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 35.15 cm³; (15)Molar Volume: 126.3 cm³; (16)Polarizability: 13.93×10^-24cm³; (17)Surface Tension: 33.3 dyne/cm; (18)Density: 1.108 g/cm³; (19)Flash Point: 64.2 °C; (20)Enthalpy of Vaporization: 41.88 kJ/mol; (21)Boiling Point: 182.5 °C at 760 mmHg; (22)Vapour Pressure: 0.806 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1cc(co1)C(=O)OC
(2)InChI: InChI=1/C7H8O3/c1-5-3-6(4-10-5)7(8)9-2/h3-4H,1-2H3
(3)InChIKey: UTBIHCRVZWPDGB-UHFFFAOYAG

Product Name

3-Furancarboxylicacid,5-methyl-,methylester(9CI)

3-Furancarboxylic acid,5-methyl-, methyl ester Specification

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