CAS No.27538-10-9,Ethyl furaneol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	27538-10-9
Name:	Ethyl furaneol
Article Data:	9

Formula:	C₇H₁₀O₃
Molecular Weight:	142.155
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;
EINECS:	248-514-6
Density:	1.184 g/cm³
Boiling Point:	231 °C at 760 mmHg
Flash Point:	93.5 °C
Appearance:	YELLOW LIQUID
Risk Codes:	22
Safety:	23-36
PSA:	46.53000
LogP:	1.54390

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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.