Name: FRAISION ETHYL ETHER
SKU: 65330-49-6

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Basic Information

Molecular Structure:
CAS No.:	65330-49-6
Name:	FRAISION ETHYL ETHER

Formula:	C₈H₁₂O₃
Molecular Weight:	156.181
Synonyms:	2,5-Dimethyl-4-ethoxy-3(2H)-furanone;
EINECS:	265-701-8
Density:	1.07 g/cm³
Boiling Point:	239.5 °C at 760 mmHg
Flash Point:	89.1 °C
PSA:	35.53000
LogP:	1.24220

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Specification

The 2,5-Dimethyl-4-ethoxy-3(2H)-furanone, with the CAS registry number 65330-49-6, is also known as 3(2H)-Furanone, 4-ethoxy-2,5-dimethyl- and 4-Ethoxy-2,5-dimethylfuran-3-one. Its EINECS registry number is 265-701-8. This chemical's molecular formula is C₈H₁₂O₃ and molecular weight is 156.18. What's more, both its IUPAC name and systematic name are the same which is called 4-Ethoxy-2,5-dimethylfuran-3(2H)-one.

Physical properties about 2,5-Dimethyl-4-ethoxy-3(2H)-furanone are: (1) ACD/LogP: 1.07; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.07; (4) ACD/LogD (pH 7.4): 1.07; (5) ACD/BCF (pH 5.5): 3.84; (6) ACD/BCF (pH 7.4): 3.84; (7) ACD/KOC (pH 5.5): 91.14; (8) ACD/KOC (pH 7.4): 91.14; (9) #H bond acceptors: 3; (10)#H bond donors: 0; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 35.53 Å²; (13) Index of Refraction: 1.462; (14) Molar Refractivity: 40.06 cm³; (15) Molar Volume: 145.7 cm³; (16) Surface Tension: 31.3 dyne/cm; (17) Density: 1.07 g/cm³; (18) Flash Point: 89.1 °C; (19) Enthalpy of Vaporization: 47.64 kJ/mol; (20) Boiling Point: 239.5 °C at 760 mmHg; (21) Vapour Pressure: 0.0399 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC1=C(OC(C1=O)C)C
(2) InChI: InChI=1S/C8H12O3/c1-4-10-8-6(3)11-5(2)7(8)9/h5H,4H2,1-3H3
(3) InChIKey: AILFSZXBRNLVHY-UHFFFAOYSA-N