2-FURANCARBOXYLIC ACID N-PROPYL ESTER

The CAS register number of 2-Furancarboxylic acid, propyl ester is 615-10-1. It also can be called as Propyl a-furoateand the IUPAC name about this chemical is propyl furan-2-carboxylate. The molecular formula about this chemical is C₈H₁₀O₃ and the molecular weight is 154.16. It is stable under normal temperature and pressure. If you want to store it, you should keep the container tightly sealed in dry, cool places.

Physical properties about 2-Furancarboxylic acid, propyl ester are: (1)ACD/LogP: 2.05; (2)ACD/LogD (pH 5.5): 2.05; (3)ACD/LogD (pH 7.4): 2.05; (4)ACD/BCF (pH 5.5): 21.33; (5)ACD/BCF (pH 7.4): 21.33; (6)ACD/KOC (pH 5.5): 311.12; (7)ACD/KOC (pH 7.4): 311.12; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 39.44 Å²; (11)Index of Refraction: 1.465; (12)Molar Refractivity: 39.59 cm³; (13)Molar Volume: 143.1 cm³; (14)Polarizability: 15.69x10^-24cm³; (15)Surface Tension: 34 dyne/cm; (16)Density: 1.077 g/cm³; (17)Flash Point: 82.4 °C; (18)Enthalpy of Vaporization: 44.89 kJ/mol; (19)Boiling Point: 212.6 °C at 760 mmHg; (20)Vapour Pressure: 0.172 mmHg at 25 °C.

Preparation: this chemical can be prepared by 2-(Dipropyloxymethyl)-furan. This reaction will need reagent of BF₃O(C₂H₅)₂ and solvent of 1,2-dichloro-ethane. The reaction time is 15 mins with reaction temperature of 0 °C. The yield is about 13%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCC)c1occc1
(2)InChI: InChI=1/C8H10O3/c1-2-5-11-8(9)7-4-3-6-10-7/h3-4,6H,2,5H2,1H3
(3)InChIKey: HSCVIIISAAEVQT-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C8H10O3/c1-2-5-11-8(9)7-4-3-6-10-7/h3-4,6H,2,5H2,1H3
(5)Std. InChIKey: HSCVIIISAAEVQT-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LDLo	intraperitoneal	75mg/kg (75mg/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 58, Pg. 174, 1936.