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Ethyl furaneol

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Name

Ethyl furaneol

EINECS 248-514-6
CAS No. 27538-10-9 Density 1.184 g/cm3
PSA 46.53000 LogP 1.54390
Solubility N/A Melting Point N/A
Formula C7H10O3 Boiling Point 231 °C at 760 mmHg
Molecular Weight 142.155 Flash Point 93.5 °C
Transport Information N/A Appearance YELLOW LIQUID
Safety 23-36 Risk Codes 22
Molecular Structure Molecular Structure of 27538-10-9 (Ethyl furaneol) Hazard Symbols N/A
Synonyms

2-Methyl-3-hydroxy-5-ethylfuran-4-one;2-Methyl-5-ethyl-4,5-dihydrofuran-3-ol-4-one;4-Hydroxy-2-ethyl-5-methyl-2,3-dihydrofuran-3-one;4-Hydroxy-2-ethyl-5-methyl-3(2H)-furanone;4-Hydroxy-5-methyl-2-ethyl-2,3-dihydrofuran-3-one;HEMF;Homofuraneol;

Article Data 9

Ethyl furaneol Specification

The IUPAC name of Ethyl furaneol is 2-ethyl-4-hydroxy-5-methylfuran-3-one. With the CAS registry number 27538-10-9, it is also named as 4-Hydroxy-2-ethyl-5-methyl-3(2H)-furanone. The product's categories are Furan & Benzofuran; Alphabetical Listings; E-F; Flavors and Fragrances. Besides, it is colorless to light yellow liquid. In addition, its molecular formula is C7H10O3 and molecular weight is 142.15.

The other characteristics of this product can be summarized as: (1)EINECS: 248-514-6; (2)FEMA: 3623; (3)ACD/LogP: 0.87; (4)# of Rule of 5 Violations: 0; (5)ACD/LogD (pH 5.5): 0.87; (6)ACD/LogD (pH 7.4): 0.87; (7)ACD/BCF (pH 5.5): 2.7; (8)ACD/BCF (pH 7.4): 2.68; (9)ACD/KOC (pH 5.5): 70.86; (10)ACD/KOC (pH 7.4): 70.45; (11)#H bond acceptors: 3; (12)#H bond donors: 1; (13)#Freely Rotating Bonds: 2; (14)Polar Surface Area: 35.53 Å2; (15)Index of Refraction: 1.501; (16)Molar Refractivity: 35.4 cm3; (17)Molar Volume: 120 cm3; (18)Polarizability: 14.03×10-24cm3; (19)Surface Tension: 39.6 dyne/cm; (20)Density: 1.183 g/cm3; (21)Flash Point: 93.5 °C; (22)Enthalpy of Vaporization: 54.36 kJ/mol; (23)Boiling Point: 231 °C at 760 mmHg; (24)Vapour Pressure: 0.0121 mmHg at 25 °C.

Preparation of Ethyl furaneol: this chemical can be prepared by 3-ethyl-2,2'-dimethoxy-3'-methyl-[2,2']bioxiranyl.



This reaction needs wasser Schwefelsaeure and methanol by heating for 2 hours. The yield is 48 %.

When you are using this chemical, please be cautious about it as the following: it is harmful if swallowed. Please do not breathe vapour. Moreover, in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CCC1C(=O)C(=C(O1)C)O
(2)InChI: InChI=1S/C7H10O3/c1-3-5-7(9)6(8)4(2)10-5/h5,8H,3H2,1-2H3
(3)InChIKey: GWCRPYGYVRXVLI-UHFFFAOYSA-N 

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1932mg/kg (1932mg/kg)   Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

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