CAS No.3620-18-6,3-acetyldihydro-5-methylfuran-2(3H)-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3620-18-6
Name:	3-acetyldihydro-5-methylfuran-2(3H)-one
Article Data:	14

Formula:	C₇H₁₀O₃
Molecular Weight:	142.155
Synonyms:	Valericacid, 2-acetyl-4-hydroxy-, g-lactone (6CI,7CI,8CI);3-Acetyl-5-methyldihydro-2(3H)-furanone;NSC46347;a-Acetyl-g-valerolactone;
EINECS:	222-816-8
Density:	1.114 g/cm³
Boiling Point:	281.5 °C at 760 mmHg
Flash Point:	124.4 °C
PSA:	43.37000
LogP:	0.52700

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Specification

This chemical is called 2(3H)-Furanone,3-acetyldihydro-5-methyl-, and its IUPAC name is 3-acetyl-5-methyloxolan-2-one. With the molecular formula of C₇H₁₀O₃, its molecular weight is 142.1525. The CAS registry number of this chemical is 3620-18-6.

Other characteristics of the 2(3H)-Furanone,3-acetyldihydro-5-methyl- can be summarised as followings: (1)ACD/LogP: -0.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.78; (4)ACD/LogD (pH 7.4): -0.78; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.97; (8)ACD/KOC (pH 7.4): 8.97; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.447; (14)Molar Refractivity: 34.09 cm³; (15)Molar Volume: 127.4 cm³; (16)Polarizability: 13.51×10^-24cm³; (17)Surface Tension: 33.7 dyne/cm; (18)Density: 1.114 g/cm³; (19)Flash Point: 124.4 °C; (20)Enthalpy of Vaporization: 52.03 kJ/mol; (21)Boiling Point: 281.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00355 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C1OC(C)CC1C(=O)C
2.InChI: InChI=1/C7H10O3/c1-4-3-6(5(2)8)7(9)10-4/h4,6H,3H2,1-2H3
3.InChIKey: PNRIRUUSCZDXEP-UHFFFAOYAB