CAS No.3123-97-5,5,5-DIMETHYL-DIHYDRO-FURAN-2-ONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3123-97-5
Name:	5,5-DIMETHYL-DIHYDRO-FURAN-2-ONE
Article Data:	106

Formula:	C₆H₁₀O₂
Molecular Weight:	114.144
Synonyms:	Valericacid, 4-hydroxy-4-methyl-, lactone (6CI);Valeric acid, 4-hydroxy-4-methyl-, g-lactone (7CI);4,4-Dimethyl-4-butanolide;4,4-Dimethylbutyrolactone;4-Methyl-4-hydroxypentanoic acid lactone;4-Methylpentan-4-olide;5,5-Dimethyldihydrofuran-2(3H)-one;5,5-Dimethyldihydrofuran-2-one;Dihydro-5,5-dimethyl-2(3H)-furanone;Isocaprolactone;NSC 128078;NSC 221122;Tetrahydro-5,5-dimethyl-2-furanone;γ,γ-Dimethyl-g-butyrolactone;γ,γ-Dimethylbutyrolactone;γ,γ-Dimethylvalerolactone;γ-Isocaprolactone;γ-Methyl-g-valerolactone;2(3H)-Furanone, dihydro-5,5-dimethyl-;5,5-Dimethyldihydrofuran-2(3H)-one;Tetrahydro-5,5-dimethyl-2-furanone;
Density:	0.995 g/cm³
Melting Point:	8 °C
Boiling Point:	191.5 °C at 760 mmHg
Flash Point:	66.9 °C
Hazard Symbols:	Xi
Risk Codes:	41
Safety:	26-39
PSA:	26.30000
LogP:	1.10200

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- China (Mainland)(33)
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Specification

The 2(3H)-Furanone,dihydro-5,5-dimethyl-, with the CAS registry number 3123-97-5, has the systematic name of 5,5-dimethyldihydrofuran-2(3H)-one. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₆H₁₀O₂.

The characteristics of 2(3H)-Furanone,dihydro-5,5-dimethyl- are as followings: (1)ACD/LogP: 0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.27; (4)ACD/LogD (pH 7.4): 0.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 33.35; (8)ACD/KOC (pH 7.4): 33.35; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.428; (14)Molar Refractivity: 29.5 cm³; (15)Molar Volume: 114.6 cm³; (16)Polarizability: 11.69×10^-24cm³; (17)Surface Tension: 27.4 dyne/cm; (18)Density: 0.995 g/cm³; (19)Flash Point: 66.9 °C; (20)Enthalpy of Vaporization: 42.77 kJ/mol; (21)Boiling Point: 191.5 °C at 760 mmHg; (22)Vapour Pressure: 0.513 mmHg at 25°C.

Uses of 2(3H)-Furanone,dihydro-5,5-dimethyl-: It can react with benzene to produce 4,4-dimethyl-3,4-dihydro-2H-naphthalen-1-one. This reaction will need reagent AlCl₃. The reaction time is 2.5 hours with temperature of 90-100°C, and the yield is about 72%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1OC(C)(C)CC1
(2)InChI: InChI=1/C6H10O2/c1-6(2)4-3-5(7)8-6/h3-4H2,1-2H3
(3)InChIKey: NPHAVLULUWJQAS-UHFFFAOYAQ